(3S)-3-N-(2-chloropyrimidin-4-yl)-4-methylpentane-2,3-diamine

C10H17ClN4 — CID 130469662

IUPAC(3S)-3-N-(2-chloropyrimidin-4-yl)-4-methylpentane-2,3-diamine
SMILESCC(C)[C@H](Nc1ccnc(Cl)n1)C(C)N
InChIInChI=1S/C10H17ClN4/c1-6(2)9(7(3)12)14-8-4-5-13-10(11)15-8/h4-7,9H,12H2,1-3H3,(H,13,14,15)/t7?,9-/m0/s1
InChIKeyUIVMSMGMPLUZMM-NETXQHHPSA-N
MW228.73 g/mol
LogP1.91
Rot. Bonds4

About (3S)-3-N-(2-chloropyrimidin-4-yl)-4-methylpentane-2,3-diamine

(3S)-3-N-(2-chloropyrimidin-4-yl)-4-methylpentane-2,3-diamine (PubChem CID 130469662) has the molecular formula C10H17ClN4 and a molecular weight of 228.73 g/mol. Its IUPAC name is (3S)-3-N-(2-chloropyrimidin-4-yl)-4-methylpentane-2,3-diamine.

Molecular Properties

Compound Name(3S)-3-N-(2-chloropyrimidin-4-yl)-4-methylpentane-2,3-diamine
PubChem CID130469662
Molecular FormulaC10H17ClN4
Molecular Weight228.73 g/mol
Exact Mass228.11
IUPAC Name(3S)-3-N-(2-chloropyrimidin-4-yl)-4-methylpentane-2,3-diamine
SMILESCC(C)[C@H](Nc1ccnc(Cl)n1)C(C)N
InChIInChI=1S/C10H17ClN4/c1-6(2)9(7(3)12)14-8-4-5-13-10(11)15-8/h4-7,9H,12H2,1-3H3,(H,13,14,15)/t7?,9-/m0/s1
InChIKeyUIVMSMGMPLUZMM-NETXQHHPSA-N
XLogP1.91
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.73
LogP ≤ 51.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-chloro-N-(3-methylbutan-2-yl)pyrimidin-4-amine
CID 62338504
2-chloro-N-[(2R)-3-methylbutan-2-yl]pyrimidin-4-amine
CID 94405665
methyl (2S)-2-[(2-chloropyrimidin-4-yl)amino]-3-methylbutanoate
CID 129367589
2-[(2-chloropyrimidin-4-yl)amino]propanamide
CID 62343252
2-amino-N-(2-chloropyrimidin-4-yl)-3-methylbutanamide
CID 116795069
1-N-(2-chloropyrimidin-4-yl)propane-1,2-diamine;propane
CID 145372300
N-[1-(4-bromophenyl)ethyl]-2-chloropyrimidin-4-amine
CID 62342465
methyl (2R)-2-[(2-chloropyrimidin-4-yl)amino]-3-hydroxypropanoate
CID 129353760
2-[(2-chloropyrimidin-4-yl)amino]butan-1-ol
CID 60726838
2-chloro-N-[1-(5-fluoro-2-pyridinyl)ethyl]pyrimidin-4-amine
CID 89400370
2-chloro-N-[1-(thiadiazol-4-yl)ethyl]pyrimidin-4-amine
CID 130987200
(2R)-1-[(2-chloropyrimidin-4-yl)amino]propan-2-ol
CID 94405682

Frequently Asked Questions

What is the IUPAC name of (3S)-3-N-(2-chloropyrimidin-4-yl)-4-methylpentane-2,3-diamine?
The IUPAC name of (3S)-3-N-(2-chloropyrimidin-4-yl)-4-methylpentane-2,3-diamine (CID 130469662) is (3S)-3-N-(2-chloropyrimidin-4-yl)-4-methylpentane-2,3-diamine.
What is the SMILES notation for (3S)-3-N-(2-chloropyrimidin-4-yl)-4-methylpentane-2,3-diamine?
The canonical SMILES for (3S)-3-N-(2-chloropyrimidin-4-yl)-4-methylpentane-2,3-diamine is CC(C)[C@H](Nc1ccnc(Cl)n1)C(C)N.
What is the InChIKey of (3S)-3-N-(2-chloropyrimidin-4-yl)-4-methylpentane-2,3-diamine?
The InChIKey is UIVMSMGMPLUZMM-NETXQHHPSA-N. The full InChI is InChI=1S/C10H17ClN4/c1-6(2)9(7(3)12)14-8-4-5-13-10(11)15-8/h4-7,9H,12H2,1-3H3,(H,13,14,15)/t7?,9-/m0/s1.
What are the key properties of (3S)-3-N-(2-chloropyrimidin-4-yl)-4-methylpentane-2,3-diamine?
(3S)-3-N-(2-chloropyrimidin-4-yl)-4-methylpentane-2,3-diamine has a molecular weight of 228.73 g/mol, XLogP of 1.91, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-N-(2-chloropyrimidin-4-yl)-4-methylpentane-2,3-diamine is sourced from PubChem (CID 130469662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).