N,4,5-trimethyl-6-[(3R)-3-(oxepan-4-ylamino)pyrrolidin-1-yl]pyrimidine-2-carboxamide

C18H29N5O2 — CID 146112283

IUPACN,4,5-trimethyl-6-[(3R)-3-(oxepan-4-ylamino)pyrrolidin-1-yl]pyrimidine-2-carboxamide
SMILESCNC(=O)c1nc(C)c(C)c(N2CC[C@@H](NC3CCCOCC3)C2)n1
InChIInChI=1S/C18H29N5O2/c1-12-13(2)20-16(18(24)19-3)22-17(12)23-8-6-15(11-23)21-14-5-4-9-25-10-7-14/h14-15,21H,4-11H2,1-3H3,(H,19,24)/t14?,15-/m1/s1
InChIKeyUVHGOVTUEOLUDV-YSSOQSIOSA-N
MW347.46 g/mol
LogP1.19
Rot. Bonds4

About N,4,5-trimethyl-6-[(3R)-3-(oxepan-4-ylamino)pyrrolidin-1-yl]pyrimidine-2-carboxamide

N,4,5-trimethyl-6-[(3R)-3-(oxepan-4-ylamino)pyrrolidin-1-yl]pyrimidine-2-carboxamide (PubChem CID 146112283) has the molecular formula C18H29N5O2 and a molecular weight of 347.46 g/mol. Its IUPAC name is N,4,5-trimethyl-6-[(3R)-3-(oxepan-4-ylamino)pyrrolidin-1-yl]pyrimidine-2-carboxamide.

Molecular Properties

Compound NameN,4,5-trimethyl-6-[(3R)-3-(oxepan-4-ylamino)pyrrolidin-1-yl]pyrimidine-2-carboxamide
PubChem CID146112283
Molecular FormulaC18H29N5O2
Molecular Weight347.46 g/mol
Exact Mass347.23
IUPAC NameN,4,5-trimethyl-6-[(3R)-3-(oxepan-4-ylamino)pyrrolidin-1-yl]pyrimidine-2-carboxamide
SMILESCNC(=O)c1nc(C)c(C)c(N2CC[C@@H](NC3CCCOCC3)C2)n1
InChIInChI=1S/C18H29N5O2/c1-12-13(2)20-16(18(24)19-3)22-17(12)23-8-6-15(11-23)21-14-5-4-9-25-10-7-14/h14-15,21H,4-11H2,1-3H3,(H,19,24)/t14?,15-/m1/s1
InChIKeyUVHGOVTUEOLUDV-YSSOQSIOSA-N
XLogP1.19
TPSA79.38 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.46
LogP ≤ 51.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N,4,5-trimethyl-6-[(3R)-3-(oxepan-4-ylamino)pyrrolidin-1-yl]pyrimidine-2-carboxamide with MolForge

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Related Compounds

4-[(3R)-3-(1,4-dioxepan-6-ylamino)pyrrolidin-1-yl]-N,5,6-trimethylpyrimidine-2-carboxamide
CID 146112414
4-[(3R)-3-[[3-(methoxymethyl)cyclobutyl]amino]pyrrolidin-1-yl]-N,5,6-trimethylpyrimidine-2-carboxamide
CID 146112261
4-[(3R)-3-[(3-ethoxycyclobutyl)amino]pyrrolidin-1-yl]-N,5,6-trimethylpyrimidine-2-carboxamide
CID 146112281
4-[(3R)-3-[[3-(1H-imidazol-2-yl)cyclobutyl]amino]pyrrolidin-1-yl]-N,5,6-trimethylpyrimidine-2-carboxamide
CID 154794900
4-[(3R)-3-(4-hydroxybutan-2-ylamino)pyrrolidin-1-yl]-N,5,6-trimethylpyrimidine-2-carboxamide
CID 146112279
4-[(3R)-3-[1-(1,3-dimethylpyrazol-4-yl)ethylamino]pyrrolidin-1-yl]-N,5,6-trimethylpyrimidine-2-carboxamide
CID 146153787
4-[(3R)-3-[(4-methoxyphenyl)methylamino]pyrrolidin-1-yl]-N,5,6-trimethylpyrimidine-2-carboxamide
CID 146111838
N,4,5-trimethyl-6-[(3R)-3-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]pyrrolidin-1-yl]pyrimidine-2-carboxamide
CID 146102398
4-[(3R)-3-[(2,5-dimethylpyrazol-3-yl)methylamino]pyrrolidin-1-yl]-N,5,6-trimethylpyrimidine-2-carboxamide
CID 146111740
4-[(3R)-3-(furo[2,3-b]pyridin-2-ylmethylamino)pyrrolidin-1-yl]-N,5,6-trimethylpyrimidine-2-carboxamide
CID 146153740
N,4,5-trimethyl-6-[(3R)-3-(quinolin-8-ylmethylamino)pyrrolidin-1-yl]pyrimidine-2-carboxamide
CID 146111830
N,4,5-trimethyl-6-[(3R)-3-[1-(3-methylimidazol-4-yl)ethylamino]pyrrolidin-1-yl]pyrimidine-2-carboxamide
CID 167882192

Frequently Asked Questions

What is the IUPAC name of N,4,5-trimethyl-6-[(3R)-3-(oxepan-4-ylamino)pyrrolidin-1-yl]pyrimidine-2-carboxamide?
The IUPAC name of N,4,5-trimethyl-6-[(3R)-3-(oxepan-4-ylamino)pyrrolidin-1-yl]pyrimidine-2-carboxamide (CID 146112283) is N,4,5-trimethyl-6-[(3R)-3-(oxepan-4-ylamino)pyrrolidin-1-yl]pyrimidine-2-carboxamide.
What is the SMILES notation for N,4,5-trimethyl-6-[(3R)-3-(oxepan-4-ylamino)pyrrolidin-1-yl]pyrimidine-2-carboxamide?
The canonical SMILES for N,4,5-trimethyl-6-[(3R)-3-(oxepan-4-ylamino)pyrrolidin-1-yl]pyrimidine-2-carboxamide is CNC(=O)c1nc(C)c(C)c(N2CC[C@@H](NC3CCCOCC3)C2)n1.
What is the InChIKey of N,4,5-trimethyl-6-[(3R)-3-(oxepan-4-ylamino)pyrrolidin-1-yl]pyrimidine-2-carboxamide?
The InChIKey is UVHGOVTUEOLUDV-YSSOQSIOSA-N. The full InChI is InChI=1S/C18H29N5O2/c1-12-13(2)20-16(18(24)19-3)22-17(12)23-8-6-15(11-23)21-14-5-4-9-25-10-7-14/h14-15,21H,4-11H2,1-3H3,(H,19,24)/t14?,15-/m1/s1.
What are the key properties of N,4,5-trimethyl-6-[(3R)-3-(oxepan-4-ylamino)pyrrolidin-1-yl]pyrimidine-2-carboxamide?
N,4,5-trimethyl-6-[(3R)-3-(oxepan-4-ylamino)pyrrolidin-1-yl]pyrimidine-2-carboxamide has a molecular weight of 347.46 g/mol, XLogP of 1.19, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,4,5-trimethyl-6-[(3R)-3-(oxepan-4-ylamino)pyrrolidin-1-yl]pyrimidine-2-carboxamide is sourced from PubChem (CID 146112283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).