1-[3-[[6-(cyclopropylmethylamino)pyrimidin-4-yl]amino]pyrrolidin-1-yl]ethanone

C14H21N5O — CID 75390795

IUPAC1-[3-[[6-(cyclopropylmethylamino)pyrimidin-4-yl]amino]pyrrolidin-1-yl]ethanone
SMILESCC(=O)N1CCC(Nc2cc(NCC3CC3)ncn2)C1
InChIInChI=1S/C14H21N5O/c1-10(20)19-5-4-12(8-19)18-14-6-13(16-9-17-14)15-7-11-2-3-11/h6,9,11-12H,2-5,7-8H2,1H3,(H2,15,16,17,18)
InChIKeyHIAMDSZEZKRCOS-UHFFFAOYSA-N
MW275.36 g/mol
LogP1.33
Rot. Bonds5

About 1-[3-[[6-(cyclopropylmethylamino)pyrimidin-4-yl]amino]pyrrolidin-1-yl]ethanone

1-[3-[[6-(cyclopropylmethylamino)pyrimidin-4-yl]amino]pyrrolidin-1-yl]ethanone (PubChem CID 75390795) has the molecular formula C14H21N5O and a molecular weight of 275.36 g/mol. Its IUPAC name is 1-[3-[[6-(cyclopropylmethylamino)pyrimidin-4-yl]amino]pyrrolidin-1-yl]ethanone.

Molecular Properties

Compound Name1-[3-[[6-(cyclopropylmethylamino)pyrimidin-4-yl]amino]pyrrolidin-1-yl]ethanone
PubChem CID75390795
Molecular FormulaC14H21N5O
Molecular Weight275.36 g/mol
Exact Mass275.17
IUPAC Name1-[3-[[6-(cyclopropylmethylamino)pyrimidin-4-yl]amino]pyrrolidin-1-yl]ethanone
SMILESCC(=O)N1CCC(Nc2cc(NCC3CC3)ncn2)C1
InChIInChI=1S/C14H21N5O/c1-10(20)19-5-4-12(8-19)18-14-6-13(16-9-17-14)15-7-11-2-3-11/h6,9,11-12H,2-5,7-8H2,1H3,(H2,15,16,17,18)
InChIKeyHIAMDSZEZKRCOS-UHFFFAOYSA-N
XLogP1.33
TPSA70.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.36
LogP ≤ 51.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 1-[3-[[6-(cyclopropylmethylamino)pyrimidin-4-yl]amino]pyrrolidin-1-yl]ethanone with MolForge

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Related Compounds

1-[(3R)-3-[(6-propan-2-ylpyrimidin-4-yl)amino]pyrrolidin-1-yl]ethanone
CID 126724529
ethyl 6-[(1-acetylpiperidin-4-yl)amino]pyrimidine-4-carboxylate
CID 130405890
tert-butyl 4-[[6-(cyclopropylmethyl)pyrimidin-4-yl]amino]piperidine-1-carboxylate
CID 126849561
2-[[6-[(1-methylpyrrolidin-3-yl)amino]pyrimidin-4-yl]amino]ethanethiol
CID 115264399
ethyl 4-[[6-(cyclohexylamino)pyrimidin-4-yl]amino]piperidine-1-carboxylate
CID 112856231
ethyl 4-[[6-(cycloheptylamino)pyrimidin-4-yl]amino]piperidine-1-carboxylate
CID 112862849
1-[4-[[6-(3-aminocyclobutyl)pyrimidin-4-yl]amino]piperidin-1-yl]ethanone;dihydrochloride
CID 154903346
4-[[(6-chloropyrimidin-4-yl)amino]methyl]piperidine-1-carboxylic acid
CID 87133565
N-[6-[[(3R)-1-prop-2-enoylpiperidin-3-yl]amino]pyrimidin-4-yl]acetamide
CID 175800552
6-N-(cyclopropylmethyl)-4-N-[1-[[(3R)-oxolan-3-yl]methyl]piperidin-4-yl]pyrimidine-4,6-diamine
CID 124735336
2-[cyclopropylmethyl-[3-[[6-(cyclopropylmethylamino)pyrimidin-4-yl]amino]cyclobutyl]amino]acetic acid
CID 122061530
6-[(1-acetylpiperidin-4-yl)amino]-N-[(2S)-3-chloro-2-hydroxypropyl]pyrimidine-4-carboxamide
CID 162458328

Frequently Asked Questions

What is the IUPAC name of 1-[3-[[6-(cyclopropylmethylamino)pyrimidin-4-yl]amino]pyrrolidin-1-yl]ethanone?
The IUPAC name of 1-[3-[[6-(cyclopropylmethylamino)pyrimidin-4-yl]amino]pyrrolidin-1-yl]ethanone (CID 75390795) is 1-[3-[[6-(cyclopropylmethylamino)pyrimidin-4-yl]amino]pyrrolidin-1-yl]ethanone.
What is the SMILES notation for 1-[3-[[6-(cyclopropylmethylamino)pyrimidin-4-yl]amino]pyrrolidin-1-yl]ethanone?
The canonical SMILES for 1-[3-[[6-(cyclopropylmethylamino)pyrimidin-4-yl]amino]pyrrolidin-1-yl]ethanone is CC(=O)N1CCC(Nc2cc(NCC3CC3)ncn2)C1.
What is the InChIKey of 1-[3-[[6-(cyclopropylmethylamino)pyrimidin-4-yl]amino]pyrrolidin-1-yl]ethanone?
The InChIKey is HIAMDSZEZKRCOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N5O/c1-10(20)19-5-4-12(8-19)18-14-6-13(16-9-17-14)15-7-11-2-3-11/h6,9,11-12H,2-5,7-8H2,1H3,(H2,15,16,17,18).
What are the key properties of 1-[3-[[6-(cyclopropylmethylamino)pyrimidin-4-yl]amino]pyrrolidin-1-yl]ethanone?
1-[3-[[6-(cyclopropylmethylamino)pyrimidin-4-yl]amino]pyrrolidin-1-yl]ethanone has a molecular weight of 275.36 g/mol, XLogP of 1.33, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[[6-(cyclopropylmethylamino)pyrimidin-4-yl]amino]pyrrolidin-1-yl]ethanone is sourced from PubChem (CID 75390795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).