(4R)-N-[(4-aminopyrimidin-2-yl)methyl]-1-(2-cyclopropylpyrimidin-4-yl)-N-methylazepan-4-amine

C19H27N7 — CID 129344106

IUPAC(4R)-N-[(4-aminopyrimidin-2-yl)methyl]-1-(2-cyclopropylpyrimidin-4-yl)-N-methylazepan-4-amine
SMILESCN(Cc1nccc(N)n1)[C@@H]1CCCN(c2ccnc(C3CC3)n2)CC1
InChIInChI=1S/C19H27N7/c1-25(13-17-21-9-6-16(20)23-17)15-3-2-11-26(12-8-15)18-7-10-22-19(24-18)14-4-5-14/h6-7,9-10,14-15H,2-5,8,11-13H2,1H3,(H2,20,21,23)/t15-/m1/s1
InChIKeyYNDILNKELNRBFX-OAHLLOKOSA-N
MW353.47 g/mol
LogP2.22
Rot. Bonds5

About (4R)-N-[(4-aminopyrimidin-2-yl)methyl]-1-(2-cyclopropylpyrimidin-4-yl)-N-methylazepan-4-amine

(4R)-N-[(4-aminopyrimidin-2-yl)methyl]-1-(2-cyclopropylpyrimidin-4-yl)-N-methylazepan-4-amine (PubChem CID 129344106) has the molecular formula C19H27N7 and a molecular weight of 353.47 g/mol. Its IUPAC name is (4R)-N-[(4-aminopyrimidin-2-yl)methyl]-1-(2-cyclopropylpyrimidin-4-yl)-N-methylazepan-4-amine.

Molecular Properties

Compound Name(4R)-N-[(4-aminopyrimidin-2-yl)methyl]-1-(2-cyclopropylpyrimidin-4-yl)-N-methylazepan-4-amine
PubChem CID129344106
Molecular FormulaC19H27N7
Molecular Weight353.47 g/mol
Exact Mass353.23
IUPAC Name(4R)-N-[(4-aminopyrimidin-2-yl)methyl]-1-(2-cyclopropylpyrimidin-4-yl)-N-methylazepan-4-amine
SMILESCN(Cc1nccc(N)n1)[C@@H]1CCCN(c2ccnc(C3CC3)n2)CC1
InChIInChI=1S/C19H27N7/c1-25(13-17-21-9-6-16(20)23-17)15-3-2-11-26(12-8-15)18-7-10-22-19(24-18)14-4-5-14/h6-7,9-10,14-15H,2-5,8,11-13H2,1H3,(H2,20,21,23)/t15-/m1/s1
InChIKeyYNDILNKELNRBFX-OAHLLOKOSA-N
XLogP2.22
TPSA84.06 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.47
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze (4R)-N-[(4-aminopyrimidin-2-yl)methyl]-1-(2-cyclopropylpyrimidin-4-yl)-N-methylazepan-4-amine with MolForge

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Related Compounds

1-(2-cyclopropylpyrimidin-4-yl)-N-methyl-N-(pyrimidin-2-ylmethyl)pyrrolidin-3-amine
CID 129000168
N-[(4-aminopyrimidin-2-yl)methyl]-1-(3-ethyl-1,2,4-thiadiazol-5-yl)-N-methylazepan-4-amine
CID 128993373
(4S)-N-[(4-aminopyrimidin-2-yl)methyl]-1-(1,3-benzothiazol-2-yl)-N-methylazepan-4-amine
CID 129336846
4-(azetidin-1-yl)-2-cyclopropylpyrimidine
CID 131087729
N-cyclobutyl-N-[1-(2-cyclopropylpyrimidin-4-yl)azepan-4-yl]methanesulfonamide
CID 128996001
N-cyclobutyl-N-[(4S)-1-(2-cyclopropylpyrimidin-4-yl)azepan-4-yl]acetamide
CID 129339680
(4S)-N-[(4-aminopyrimidin-2-yl)methyl]-N-methyl-1-(thiophen-2-ylmethyl)azepan-4-amine
CID 129339400
(4S)-N-[(4-aminopyrimidin-2-yl)methyl]-N-methyl-1-[(1-methylpyrrol-3-yl)methyl]azepan-4-amine
CID 129338472
1-[(4S)-4-[(4-aminopyrimidin-2-yl)methyl-methylamino]azepan-1-yl]-2-(2-methylphenyl)ethanone
CID 129334243
N-[(4-aminopyrimidin-2-yl)methyl]-N-methyl-1-(thiadiazol-4-ylmethyl)azepan-4-amine
CID 167969747
N-[1-(2-cyclopropylpyrimidin-4-yl)piperidin-4-yl]-N-methylcyclopropanesulfonamide
CID 163346286
N-cyclohexyl-4-(2-cyclopropylpyrimidin-4-yl)-N-methylpiperazine-1-sulfonamide
CID 127302660

Frequently Asked Questions

What is the IUPAC name of (4R)-N-[(4-aminopyrimidin-2-yl)methyl]-1-(2-cyclopropylpyrimidin-4-yl)-N-methylazepan-4-amine?
The IUPAC name of (4R)-N-[(4-aminopyrimidin-2-yl)methyl]-1-(2-cyclopropylpyrimidin-4-yl)-N-methylazepan-4-amine (CID 129344106) is (4R)-N-[(4-aminopyrimidin-2-yl)methyl]-1-(2-cyclopropylpyrimidin-4-yl)-N-methylazepan-4-amine.
What is the SMILES notation for (4R)-N-[(4-aminopyrimidin-2-yl)methyl]-1-(2-cyclopropylpyrimidin-4-yl)-N-methylazepan-4-amine?
The canonical SMILES for (4R)-N-[(4-aminopyrimidin-2-yl)methyl]-1-(2-cyclopropylpyrimidin-4-yl)-N-methylazepan-4-amine is CN(Cc1nccc(N)n1)[C@@H]1CCCN(c2ccnc(C3CC3)n2)CC1.
What is the InChIKey of (4R)-N-[(4-aminopyrimidin-2-yl)methyl]-1-(2-cyclopropylpyrimidin-4-yl)-N-methylazepan-4-amine?
The InChIKey is YNDILNKELNRBFX-OAHLLOKOSA-N. The full InChI is InChI=1S/C19H27N7/c1-25(13-17-21-9-6-16(20)23-17)15-3-2-11-26(12-8-15)18-7-10-22-19(24-18)14-4-5-14/h6-7,9-10,14-15H,2-5,8,11-13H2,1H3,(H2,20,21,23)/t15-/m1/s1.
What are the key properties of (4R)-N-[(4-aminopyrimidin-2-yl)methyl]-1-(2-cyclopropylpyrimidin-4-yl)-N-methylazepan-4-amine?
(4R)-N-[(4-aminopyrimidin-2-yl)methyl]-1-(2-cyclopropylpyrimidin-4-yl)-N-methylazepan-4-amine has a molecular weight of 353.47 g/mol, XLogP of 2.22, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-N-[(4-aminopyrimidin-2-yl)methyl]-1-(2-cyclopropylpyrimidin-4-yl)-N-methylazepan-4-amine is sourced from PubChem (CID 129344106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).