N'-methyl-N-[[4-(2-methylpropyl)morpholin-2-yl]methyl]-4-pyrimidin-2-ylpiperazine-1-carboximidamide

C19H33N7O — CID 111206612

IUPACN'-methyl-N-[[4-(2-methylpropyl)morpholin-2-yl]methyl]-4-pyrimidin-2-ylpiperazine-1-carboximidamide
SMILESC/N=C(\NCC1CN(CC(C)C)CCO1)N1CCN(c2ncccn2)CC1
InChIInChI=1S/C19H33N7O/c1-16(2)14-24-11-12-27-17(15-24)13-23-18(20-3)25-7-9-26(10-8-25)19-21-5-4-6-22-19/h4-6,16-17H,7-15H2,1-3H3,(H,20,23)
InChIKeyIQZDVUYDSHJFCO-UHFFFAOYSA-N
MW375.52 g/mol
LogP0.53
Rot. Bonds5

About N'-methyl-N-[[4-(2-methylpropyl)morpholin-2-yl]methyl]-4-pyrimidin-2-ylpiperazine-1-carboximidamide

N'-methyl-N-[[4-(2-methylpropyl)morpholin-2-yl]methyl]-4-pyrimidin-2-ylpiperazine-1-carboximidamide (PubChem CID 111206612) has the molecular formula C19H33N7O and a molecular weight of 375.52 g/mol. Its IUPAC name is N'-methyl-N-[[4-(2-methylpropyl)morpholin-2-yl]methyl]-4-pyrimidin-2-ylpiperazine-1-carboximidamide.

Molecular Properties

Compound NameN'-methyl-N-[[4-(2-methylpropyl)morpholin-2-yl]methyl]-4-pyrimidin-2-ylpiperazine-1-carboximidamide
PubChem CID111206612
Molecular FormulaC19H33N7O
Molecular Weight375.52 g/mol
Exact Mass375.27
IUPAC NameN'-methyl-N-[[4-(2-methylpropyl)morpholin-2-yl]methyl]-4-pyrimidin-2-ylpiperazine-1-carboximidamide
SMILESC/N=C(\NCC1CN(CC(C)C)CCO1)N1CCN(c2ncccn2)CC1
InChIInChI=1S/C19H33N7O/c1-16(2)14-24-11-12-27-17(15-24)13-23-18(20-3)25-7-9-26(10-8-25)19-21-5-4-6-22-19/h4-6,16-17H,7-15H2,1-3H3,(H,20,23)
InChIKeyIQZDVUYDSHJFCO-UHFFFAOYSA-N
XLogP0.53
TPSA69.12 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.52
LogP ≤ 50.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

N'-methyl-N-[[(2S)-4-(2-methylpropyl)morpholin-2-yl]methyl]pyrrolidine-1-carboximidamide
CID 95571142
4-(3-methoxyphenyl)-N'-methyl-N-[[4-(2-methylpropyl)morpholin-2-yl]methyl]piperazine-1-carboximidamide;hydroiodide
CID 111290680
4-(furan-2-carbonyl)-N'-methyl-N-[[4-(2-methylpropyl)morpholin-2-yl]methyl]piperazine-1-carboximidamide
CID 111166111
methyl 1-[N'-methyl-N-[[4-(2-methylpropyl)morpholin-2-yl]methyl]carbamimidoyl]piperidine-4-carboxylate
CID 111253671
N'-methyl-N-[[4-(2-methylpropyl)morpholin-2-yl]methyl]-3-(1-methylpyrazol-4-yl)pyrrolidine-1-carboximidamide;hydroiodide
CID 119143795
N'-methyl-N-[[4-(2-methylpropyl)morpholin-2-yl]methyl]-4-(1-methylpyrazol-4-yl)-3-oxopiperazine-1-carboximidamide
CID 109433891
N-(cyclopropylmethyl)-N'-methyl-4-pyrimidin-2-ylpiperazine-1-carboximidamide;hydroiodide
CID 111205321
2-methyl-1-[[4-(2-methylpropyl)morpholin-2-yl]methyl]-3-[2-[[3-(trifluoromethyl)-2-pyridinyl]amino]ethyl]guanidine;hydroiodide
CID 111369580
2-methyl-1-[[4-(2-methylpropyl)morpholin-2-yl]methyl]-3-[4-(pyridin-2-ylamino)butyl]guanidine;hydroiodide
CID 111369020
6,7-dimethoxy-N'-methyl-N-[[4-(2-methylpropyl)morpholin-2-yl]methyl]-3,4-dihydro-1H-isoquinoline-2-carboximidamide;hydroiodide
CID 111269338
N'-methyl-N-[[4-(2-methylpropyl)morpholin-2-yl]methyl]-3-(phenylmethoxymethyl)pyrrolidine-1-carboximidamide
CID 111525612
N'-methyl-N-[(4-methylcyclohexyl)methyl]-4-pyrimidin-2-ylpiperazine-1-carboximidamide
CID 111205460

Frequently Asked Questions

What is the IUPAC name of N'-methyl-N-[[4-(2-methylpropyl)morpholin-2-yl]methyl]-4-pyrimidin-2-ylpiperazine-1-carboximidamide?
The IUPAC name of N'-methyl-N-[[4-(2-methylpropyl)morpholin-2-yl]methyl]-4-pyrimidin-2-ylpiperazine-1-carboximidamide (CID 111206612) is N'-methyl-N-[[4-(2-methylpropyl)morpholin-2-yl]methyl]-4-pyrimidin-2-ylpiperazine-1-carboximidamide.
What is the SMILES notation for N'-methyl-N-[[4-(2-methylpropyl)morpholin-2-yl]methyl]-4-pyrimidin-2-ylpiperazine-1-carboximidamide?
The canonical SMILES for N'-methyl-N-[[4-(2-methylpropyl)morpholin-2-yl]methyl]-4-pyrimidin-2-ylpiperazine-1-carboximidamide is C/N=C(\NCC1CN(CC(C)C)CCO1)N1CCN(c2ncccn2)CC1.
What is the InChIKey of N'-methyl-N-[[4-(2-methylpropyl)morpholin-2-yl]methyl]-4-pyrimidin-2-ylpiperazine-1-carboximidamide?
The InChIKey is IQZDVUYDSHJFCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H33N7O/c1-16(2)14-24-11-12-27-17(15-24)13-23-18(20-3)25-7-9-26(10-8-25)19-21-5-4-6-22-19/h4-6,16-17H,7-15H2,1-3H3,(H,20,23).
What are the key properties of N'-methyl-N-[[4-(2-methylpropyl)morpholin-2-yl]methyl]-4-pyrimidin-2-ylpiperazine-1-carboximidamide?
N'-methyl-N-[[4-(2-methylpropyl)morpholin-2-yl]methyl]-4-pyrimidin-2-ylpiperazine-1-carboximidamide has a molecular weight of 375.52 g/mol, XLogP of 0.53, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N'-methyl-N-[[4-(2-methylpropyl)morpholin-2-yl]methyl]-4-pyrimidin-2-ylpiperazine-1-carboximidamide is sourced from PubChem (CID 111206612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).