N-(2-morpholin-4-ylethyl)-6-propan-2-yl-2-pyrrolidin-1-ylpyrimidine-4-carboxamide

C18H29N5O2 — CID 71830565

IUPACN-(2-morpholin-4-ylethyl)-6-propan-2-yl-2-pyrrolidin-1-ylpyrimidine-4-carboxamide
SMILESCC(C)c1cc(C(=O)NCCN2CCOCC2)nc(N2CCCC2)n1
InChIInChI=1S/C18H29N5O2/c1-14(2)15-13-16(21-18(20-15)23-6-3-4-7-23)17(24)19-5-8-22-9-11-25-12-10-22/h13-14H,3-12H2,1-2H3,(H,19,24)
InChIKeyCSJYHNNQRFZTLL-UHFFFAOYSA-N
MW347.46 g/mol
LogP1.26
Rot. Bonds6

About N-(2-morpholin-4-ylethyl)-6-propan-2-yl-2-pyrrolidin-1-ylpyrimidine-4-carboxamide

N-(2-morpholin-4-ylethyl)-6-propan-2-yl-2-pyrrolidin-1-ylpyrimidine-4-carboxamide (PubChem CID 71830565) has the molecular formula C18H29N5O2 and a molecular weight of 347.46 g/mol. Its IUPAC name is N-(2-morpholin-4-ylethyl)-6-propan-2-yl-2-pyrrolidin-1-ylpyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-(2-morpholin-4-ylethyl)-6-propan-2-yl-2-pyrrolidin-1-ylpyrimidine-4-carboxamide
PubChem CID71830565
Molecular FormulaC18H29N5O2
Molecular Weight347.46 g/mol
Exact Mass347.23
IUPAC NameN-(2-morpholin-4-ylethyl)-6-propan-2-yl-2-pyrrolidin-1-ylpyrimidine-4-carboxamide
SMILESCC(C)c1cc(C(=O)NCCN2CCOCC2)nc(N2CCCC2)n1
InChIInChI=1S/C18H29N5O2/c1-14(2)15-13-16(21-18(20-15)23-6-3-4-7-23)17(24)19-5-8-22-9-11-25-12-10-22/h13-14H,3-12H2,1-2H3,(H,19,24)
InChIKeyCSJYHNNQRFZTLL-UHFFFAOYSA-N
XLogP1.26
TPSA70.59 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.46
LogP ≤ 51.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[benzyl(methyl)amino]-N-(cyclopropylmethyl)-6-morpholin-4-ylpyrimidine-4-carboxamide
CID 153321092
2-[methyl(2-phenylethyl)amino]-N-(2-methylpropyl)-6-morpholin-4-ylpyrimidine-4-carboxamide
CID 153321115
6-methyl-2-(morpholin-4-yl)-N-[(1,3,5-trimethyl-1H-pyrazol-4-yl)methyl]pyrimidine-4-carboxamide
CID 56731236
6-(cyclopentylcarbonyl)-N-methyl-4-(1-pyrrolidinylcarbonyl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-2-amine
CID 70712572
6-(2-methoxybutanoyl)-N-methyl-4-(1-pyrrolidinylcarbonyl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-2-amine
CID 70742306
3-[2-(Dimethylamino)ethyl]-8-(2,6-dimethylpyrimidine-4-carbonyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one
CID 70743461
N-methyl-6-(propoxyacetyl)-4-(1-pyrrolidinylcarbonyl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-2-amine
CID 70758590
6-{[ethyl(methyl)amino]acetyl}-N-methyl-4-(1-pyrrolidinylcarbonyl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-2-amine
CID 70761821
N-(3-ethoxypropyl)-6-methyl-2-piperidin-1-ylpyrimidine-4-carboxamide
CID 71688584
N-(3-ethoxypropyl)-6-methyl-2-pyrrolidin-1-ylpyrimidine-4-carboxamide
CID 71688607
N-[2-(diethylamino)ethyl]-6-propan-2-yl-2-pyrrolidin-1-ylpyrimidine-4-carboxamide
CID 71830556
6-propan-2-yl-N-propyl-2-pyrrolidin-1-ylpyrimidine-4-carboxamide
CID 71830568

Frequently Asked Questions

What is the IUPAC name of N-(2-morpholin-4-ylethyl)-6-propan-2-yl-2-pyrrolidin-1-ylpyrimidine-4-carboxamide?
The IUPAC name of N-(2-morpholin-4-ylethyl)-6-propan-2-yl-2-pyrrolidin-1-ylpyrimidine-4-carboxamide (CID 71830565) is N-(2-morpholin-4-ylethyl)-6-propan-2-yl-2-pyrrolidin-1-ylpyrimidine-4-carboxamide.
What is the SMILES notation for N-(2-morpholin-4-ylethyl)-6-propan-2-yl-2-pyrrolidin-1-ylpyrimidine-4-carboxamide?
The canonical SMILES for N-(2-morpholin-4-ylethyl)-6-propan-2-yl-2-pyrrolidin-1-ylpyrimidine-4-carboxamide is CC(C)c1cc(C(=O)NCCN2CCOCC2)nc(N2CCCC2)n1.
What is the InChIKey of N-(2-morpholin-4-ylethyl)-6-propan-2-yl-2-pyrrolidin-1-ylpyrimidine-4-carboxamide?
The InChIKey is CSJYHNNQRFZTLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N5O2/c1-14(2)15-13-16(21-18(20-15)23-6-3-4-7-23)17(24)19-5-8-22-9-11-25-12-10-22/h13-14H,3-12H2,1-2H3,(H,19,24).
What are the key properties of N-(2-morpholin-4-ylethyl)-6-propan-2-yl-2-pyrrolidin-1-ylpyrimidine-4-carboxamide?
N-(2-morpholin-4-ylethyl)-6-propan-2-yl-2-pyrrolidin-1-ylpyrimidine-4-carboxamide has a molecular weight of 347.46 g/mol, XLogP of 1.26, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-morpholin-4-ylethyl)-6-propan-2-yl-2-pyrrolidin-1-ylpyrimidine-4-carboxamide is sourced from PubChem (CID 71830565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).