4-N-(cyclopropylmethyl)-6-[(3R)-3-(methylamino)pyrrolidin-1-yl]pyrimidine-2,4-diamine;hydrochloride

C13H23ClN6 — CID 162341551

IUPAC4-N-(cyclopropylmethyl)-6-[(3R)-3-(methylamino)pyrrolidin-1-yl]pyrimidine-2,4-diamine;hydrochloride
SMILESCN[C@@H]1CCN(c2cc(NCC3CC3)nc(N)n2)C1.Cl
InChIInChI=1S/C13H22N6.ClH/c1-15-10-4-5-19(8-10)12-6-11(17-13(14)18-12)16-7-9-2-3-9;/h6,9-10,15H,2-5,7-8H2,1H3,(H3,14,16,17,18);1H/t10-;/m1./s1
InChIKeyKWDAEBKMWXDLAF-HNCPQSOCSA-N
MW298.82 g/mol
LogP1.10
Rot. Bonds5

About 4-N-(cyclopropylmethyl)-6-[(3R)-3-(methylamino)pyrrolidin-1-yl]pyrimidine-2,4-diamine;hydrochloride

4-N-(cyclopropylmethyl)-6-[(3R)-3-(methylamino)pyrrolidin-1-yl]pyrimidine-2,4-diamine;hydrochloride (PubChem CID 162341551) has the molecular formula C13H23ClN6 and a molecular weight of 298.82 g/mol. Its IUPAC name is 4-N-(cyclopropylmethyl)-6-[(3R)-3-(methylamino)pyrrolidin-1-yl]pyrimidine-2,4-diamine;hydrochloride.

Molecular Properties

Compound Name4-N-(cyclopropylmethyl)-6-[(3R)-3-(methylamino)pyrrolidin-1-yl]pyrimidine-2,4-diamine;hydrochloride
PubChem CID162341551
Molecular FormulaC13H23ClN6
Molecular Weight298.82 g/mol
Exact Mass298.17
IUPAC Name4-N-(cyclopropylmethyl)-6-[(3R)-3-(methylamino)pyrrolidin-1-yl]pyrimidine-2,4-diamine;hydrochloride
SMILESCN[C@@H]1CCN(c2cc(NCC3CC3)nc(N)n2)C1.Cl
InChIInChI=1S/C13H22N6.ClH/c1-15-10-4-5-19(8-10)12-6-11(17-13(14)18-12)16-7-9-2-3-9;/h6,9-10,15H,2-5,7-8H2,1H3,(H3,14,16,17,18);1H/t10-;/m1./s1
InChIKeyKWDAEBKMWXDLAF-HNCPQSOCSA-N
XLogP1.10
TPSA79.10 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.82
LogP ≤ 51.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

4-N-(cyclopropylmethyl)-6-[3-(methylamino)pyrrolidin-1-yl]pyrimidine-2,4-diamine
CID 91003699
4-N-(cyclopropylmethyl)-6-pyrrolidin-1-ylpyrimidine-2,4-diamine
CID 130324603
6-[(3aR,6aS)-2-methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-4-N-(cyclopropylmethyl)pyrimidine-2,4-diamine
CID 91427725
6-[(3R)-3-(methylamino)pyrrolidin-1-yl]-4-N-(2-methylcyclopropyl)pyrimidine-2,4-diamine
CID 24745834
4-[(3S)-3-(methylamino)pyrrolidin-1-yl]-6-propan-2-ylpyrimidin-2-amine
CID 53377888
4-N-butyl-6-[3-(methylamino)azetidin-1-yl]pyrimidine-2,4-diamine
CID 24745833
4-N-(2,3-dimethylphenyl)-6-[(3R)-3-(methylamino)pyrrolidin-1-yl]pyrimidine-2,4-diamine
CID 90716081
4-N-(2,4-difluoro-3-methoxyphenyl)-6-[(3R)-3-(methylamino)pyrrolidin-1-yl]pyrimidine-2,4-diamine
CID 91045328
4-hydrazinyl-6-[3-(methoxymethyl)pyrrolidin-1-yl]pyrimidin-2-amine
CID 80918018
4-(2-adamantyl)-6-[(3R)-3-(methylamino)pyrrolidin-1-yl]pyrimidin-2-amine
CID 59777293
4-N-cyclopropyl-6-(3-methoxypyrrolidin-1-yl)pyrimidine-2,4-diamine
CID 122491269
4-[3-(methylamino)pyrrolidin-1-yl]-6-[[(2R)-oxolan-2-yl]methyl]pyrimidin-2-amine
CID 24995881

Frequently Asked Questions

What is the IUPAC name of 4-N-(cyclopropylmethyl)-6-[(3R)-3-(methylamino)pyrrolidin-1-yl]pyrimidine-2,4-diamine;hydrochloride?
The IUPAC name of 4-N-(cyclopropylmethyl)-6-[(3R)-3-(methylamino)pyrrolidin-1-yl]pyrimidine-2,4-diamine;hydrochloride (CID 162341551) is 4-N-(cyclopropylmethyl)-6-[(3R)-3-(methylamino)pyrrolidin-1-yl]pyrimidine-2,4-diamine;hydrochloride.
What is the SMILES notation for 4-N-(cyclopropylmethyl)-6-[(3R)-3-(methylamino)pyrrolidin-1-yl]pyrimidine-2,4-diamine;hydrochloride?
The canonical SMILES for 4-N-(cyclopropylmethyl)-6-[(3R)-3-(methylamino)pyrrolidin-1-yl]pyrimidine-2,4-diamine;hydrochloride is CN[C@@H]1CCN(c2cc(NCC3CC3)nc(N)n2)C1.Cl.
What is the InChIKey of 4-N-(cyclopropylmethyl)-6-[(3R)-3-(methylamino)pyrrolidin-1-yl]pyrimidine-2,4-diamine;hydrochloride?
The InChIKey is KWDAEBKMWXDLAF-HNCPQSOCSA-N. The full InChI is InChI=1S/C13H22N6.ClH/c1-15-10-4-5-19(8-10)12-6-11(17-13(14)18-12)16-7-9-2-3-9;/h6,9-10,15H,2-5,7-8H2,1H3,(H3,14,16,17,18);1H/t10-;/m1./s1.
What are the key properties of 4-N-(cyclopropylmethyl)-6-[(3R)-3-(methylamino)pyrrolidin-1-yl]pyrimidine-2,4-diamine;hydrochloride?
4-N-(cyclopropylmethyl)-6-[(3R)-3-(methylamino)pyrrolidin-1-yl]pyrimidine-2,4-diamine;hydrochloride has a molecular weight of 298.82 g/mol, XLogP of 1.10, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(cyclopropylmethyl)-6-[(3R)-3-(methylamino)pyrrolidin-1-yl]pyrimidine-2,4-diamine;hydrochloride is sourced from PubChem (CID 162341551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).