1-(6-amino-2-propan-2-ylpyrimidin-4-yl)-N,3-dimethylpyrrolidine-3-carboxamide

C14H23N5O — CID 106322370

IUPAC1-(6-amino-2-propan-2-ylpyrimidin-4-yl)-N,3-dimethylpyrrolidine-3-carboxamide
SMILESCNC(=O)C1(C)CCN(c2cc(N)nc(C(C)C)n2)C1
InChIInChI=1S/C14H23N5O/c1-9(2)12-17-10(15)7-11(18-12)19-6-5-14(3,8-19)13(20)16-4/h7,9H,5-6,8H2,1-4H3,(H,16,20)(H2,15,17,18)
InChIKeyRJRSTTMQTBQWJU-UHFFFAOYSA-N
MW277.37 g/mol
LogP1.14
Rot. Bonds3

About 1-(6-amino-2-propan-2-ylpyrimidin-4-yl)-N,3-dimethylpyrrolidine-3-carboxamide

1-(6-amino-2-propan-2-ylpyrimidin-4-yl)-N,3-dimethylpyrrolidine-3-carboxamide (PubChem CID 106322370) has the molecular formula C14H23N5O and a molecular weight of 277.37 g/mol. Its IUPAC name is 1-(6-amino-2-propan-2-ylpyrimidin-4-yl)-N,3-dimethylpyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-(6-amino-2-propan-2-ylpyrimidin-4-yl)-N,3-dimethylpyrrolidine-3-carboxamide
PubChem CID106322370
Molecular FormulaC14H23N5O
Molecular Weight277.37 g/mol
Exact Mass277.19
IUPAC Name1-(6-amino-2-propan-2-ylpyrimidin-4-yl)-N,3-dimethylpyrrolidine-3-carboxamide
SMILESCNC(=O)C1(C)CCN(c2cc(N)nc(C(C)C)n2)C1
InChIInChI=1S/C14H23N5O/c1-9(2)12-17-10(15)7-11(18-12)19-6-5-14(3,8-19)13(20)16-4/h7,9H,5-6,8H2,1-4H3,(H,16,20)(H2,15,17,18)
InChIKeyRJRSTTMQTBQWJU-UHFFFAOYSA-N
XLogP1.14
TPSA84.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.37
LogP ≤ 51.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N,3-dimethyl-1-[6-(methylamino)-2-propan-2-ylpyrimidin-4-yl]pyrrolidine-3-carboxamide
CID 106322336
1-(6-amino-2-propan-2-ylpyrimidin-4-yl)-N-methylpiperidine-4-carboxamide
CID 80960978
1-(6-chloro-5-methyl-2-propan-2-ylpyrimidin-4-yl)-N,3-dimethylpyrrolidine-3-carboxamide
CID 106321030
1-(4-carbamothioyl-6-methyl-2-pyridinyl)-N,3-dimethylpyrrolidine-3-carboxamide
CID 106318515
6-(7,7-dimethyl-1,4-thiazepan-4-yl)-2-propan-2-ylpyrimidin-4-amine
CID 107460240
N,3-dimethyl-1-[2-(methylamino)pyrimidin-4-yl]pyrrolidine-3-carboxamide
CID 106322389
1-(6-chloro-4-nitro-2-pyridinyl)-N,3-dimethylpyrrolidine-3-carboxamide
CID 106150503
3-methyl-1-(2-propan-2-ylpyrimidin-4-yl)pyrrolidine-3-carboxylic acid
CID 122052448
1-[4-(aminomethyl)-6-methylpyrimidin-2-yl]-N,3-dimethylpyrrolidine-3-carboxamide
CID 106317751
1-(3-amino-5-bromo-2-pyridinyl)-N,3-dimethylpyrrolidine-3-carboxamide
CID 106317398
1-[2-ethyl-6-(ethylamino)pyrimidin-4-yl]-N,3-dimethylpyrrolidine-3-carboxamide
CID 106322365
1-(2-amino-5-bromopyrimidin-4-yl)-N,3-dimethylpyrrolidine-3-carboxamide
CID 106322468

Frequently Asked Questions

What is the IUPAC name of 1-(6-amino-2-propan-2-ylpyrimidin-4-yl)-N,3-dimethylpyrrolidine-3-carboxamide?
The IUPAC name of 1-(6-amino-2-propan-2-ylpyrimidin-4-yl)-N,3-dimethylpyrrolidine-3-carboxamide (CID 106322370) is 1-(6-amino-2-propan-2-ylpyrimidin-4-yl)-N,3-dimethylpyrrolidine-3-carboxamide.
What is the SMILES notation for 1-(6-amino-2-propan-2-ylpyrimidin-4-yl)-N,3-dimethylpyrrolidine-3-carboxamide?
The canonical SMILES for 1-(6-amino-2-propan-2-ylpyrimidin-4-yl)-N,3-dimethylpyrrolidine-3-carboxamide is CNC(=O)C1(C)CCN(c2cc(N)nc(C(C)C)n2)C1.
What is the InChIKey of 1-(6-amino-2-propan-2-ylpyrimidin-4-yl)-N,3-dimethylpyrrolidine-3-carboxamide?
The InChIKey is RJRSTTMQTBQWJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N5O/c1-9(2)12-17-10(15)7-11(18-12)19-6-5-14(3,8-19)13(20)16-4/h7,9H,5-6,8H2,1-4H3,(H,16,20)(H2,15,17,18).
What are the key properties of 1-(6-amino-2-propan-2-ylpyrimidin-4-yl)-N,3-dimethylpyrrolidine-3-carboxamide?
1-(6-amino-2-propan-2-ylpyrimidin-4-yl)-N,3-dimethylpyrrolidine-3-carboxamide has a molecular weight of 277.37 g/mol, XLogP of 1.14, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-amino-2-propan-2-ylpyrimidin-4-yl)-N,3-dimethylpyrrolidine-3-carboxamide is sourced from PubChem (CID 106322370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).