N,N,4-trimethyl-6-[4-(oxan-4-ylmethyl)piperazin-1-yl]pyrimidin-2-amine

C17H29N5O — CID 165431760

IUPACN,N,4-trimethyl-6-[4-(oxan-4-ylmethyl)piperazin-1-yl]pyrimidin-2-amine
SMILESCc1cc(N2CCN(CC3CCOCC3)CC2)nc(N(C)C)n1
InChIInChI=1S/C17H29N5O/c1-14-12-16(19-17(18-14)20(2)3)22-8-6-21(7-9-22)13-15-4-10-23-11-5-15/h12,15H,4-11,13H2,1-3H3
InChIKeyGNHAXCXSUVQOAS-UHFFFAOYSA-N
MW319.45 g/mol
LogP1.40
Rot. Bonds4

About N,N,4-trimethyl-6-[4-(oxan-4-ylmethyl)piperazin-1-yl]pyrimidin-2-amine

N,N,4-trimethyl-6-[4-(oxan-4-ylmethyl)piperazin-1-yl]pyrimidin-2-amine (PubChem CID 165431760) has the molecular formula C17H29N5O and a molecular weight of 319.45 g/mol. Its IUPAC name is N,N,4-trimethyl-6-[4-(oxan-4-ylmethyl)piperazin-1-yl]pyrimidin-2-amine.

Molecular Properties

Compound NameN,N,4-trimethyl-6-[4-(oxan-4-ylmethyl)piperazin-1-yl]pyrimidin-2-amine
PubChem CID165431760
Molecular FormulaC17H29N5O
Molecular Weight319.45 g/mol
Exact Mass319.24
IUPAC NameN,N,4-trimethyl-6-[4-(oxan-4-ylmethyl)piperazin-1-yl]pyrimidin-2-amine
SMILESCc1cc(N2CCN(CC3CCOCC3)CC2)nc(N(C)C)n1
InChIInChI=1S/C17H29N5O/c1-14-12-16(19-17(18-14)20(2)3)22-8-6-21(7-9-22)13-15-4-10-23-11-5-15/h12,15H,4-11,13H2,1-3H3
InChIKeyGNHAXCXSUVQOAS-UHFFFAOYSA-N
XLogP1.40
TPSA44.73 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.45
LogP ≤ 51.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-methyl-6-[4-(oxan-4-ylmethyl)piperazin-1-yl]pyridine-4-carbonitrile
CID 154757689
2-methyl-4-[4-(oxan-4-ylmethyl)piperazin-1-yl]-6-piperidin-1-ylpyrimidine
CID 165432124
1-(2,6-dimethyl-4-pyridinyl)-4-[[(3S)-oxolan-3-yl]methyl]piperazine
CID 99932126
4-methyl-6-[4-(oxolan-3-ylmethyl)piperazin-1-yl]pyrimidine
CID 133335978
N,N,4-trimethyl-6-[4-[(2-methylpyrazol-3-yl)methyl]piperazin-1-yl]pyrimidin-2-amine
CID 166604642
4-[4-[(2-ethyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]-N,N,6-trimethylpyrimidin-2-amine
CID 166136014
N,4-dimethyl-6-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]pyrimidin-2-amine
CID 80808792
4-(4-isoquinolin-1-ylpiperazin-1-yl)-N,N,6-trimethylpyrimidin-2-amine
CID 165433962
N,N,4-trimethyl-6-[4-[(2-phenyl-1,3-oxazol-4-yl)methyl]piperazin-1-yl]pyrimidin-2-amine
CID 166136017
4-[[1-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperidin-3-yl]methyl]morpholine
CID 133322391
4-chloro-6-[4-(oxolan-3-ylmethyl)piperazin-1-yl]pyrimidin-2-amine
CID 133335948
(3aR,6aR)-5-[2-(dimethylamino)-6-methylpyrimidin-4-yl]-2-(oxan-4-yl)-3,4,6,6a-tetrahydro-1H-pyrrolo[3,4-c]pyrrole-3a-carboxylic acid
CID 72921695

Frequently Asked Questions

What is the IUPAC name of N,N,4-trimethyl-6-[4-(oxan-4-ylmethyl)piperazin-1-yl]pyrimidin-2-amine?
The IUPAC name of N,N,4-trimethyl-6-[4-(oxan-4-ylmethyl)piperazin-1-yl]pyrimidin-2-amine (CID 165431760) is N,N,4-trimethyl-6-[4-(oxan-4-ylmethyl)piperazin-1-yl]pyrimidin-2-amine.
What is the SMILES notation for N,N,4-trimethyl-6-[4-(oxan-4-ylmethyl)piperazin-1-yl]pyrimidin-2-amine?
The canonical SMILES for N,N,4-trimethyl-6-[4-(oxan-4-ylmethyl)piperazin-1-yl]pyrimidin-2-amine is Cc1cc(N2CCN(CC3CCOCC3)CC2)nc(N(C)C)n1.
What is the InChIKey of N,N,4-trimethyl-6-[4-(oxan-4-ylmethyl)piperazin-1-yl]pyrimidin-2-amine?
The InChIKey is GNHAXCXSUVQOAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N5O/c1-14-12-16(19-17(18-14)20(2)3)22-8-6-21(7-9-22)13-15-4-10-23-11-5-15/h12,15H,4-11,13H2,1-3H3.
What are the key properties of N,N,4-trimethyl-6-[4-(oxan-4-ylmethyl)piperazin-1-yl]pyrimidin-2-amine?
N,N,4-trimethyl-6-[4-(oxan-4-ylmethyl)piperazin-1-yl]pyrimidin-2-amine has a molecular weight of 319.45 g/mol, XLogP of 1.40, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,N,4-trimethyl-6-[4-(oxan-4-ylmethyl)piperazin-1-yl]pyrimidin-2-amine is sourced from PubChem (CID 165431760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).