(1R)-1-N-[5-chloro-4-(3H-inden-1-yl)pyrimidin-2-yl]cyclohexane-1,3-diamine

C19H21ClN4 — CID 135252056

IUPAC(1R)-1-N-[5-chloro-4-(3H-inden-1-yl)pyrimidin-2-yl]cyclohexane-1,3-diamine
SMILESNC1CCC[C@@H](Nc2ncc(Cl)c(C3=CCc4ccccc43)n2)C1
InChIInChI=1S/C19H21ClN4/c20-17-11-22-19(23-14-6-3-5-13(21)10-14)24-18(17)16-9-8-12-4-1-2-7-15(12)16/h1-2,4,7,9,11,13-14H,3,5-6,8,10,21H2,(H,22,23,24)/t13?,14-/m1/s1
InChIKeyRFCQKBVHNOKDKS-ARLHGKGLSA-N
MW340.86 g/mol
LogP3.80
Rot. Bonds3

About (1R)-1-N-[5-chloro-4-(3H-inden-1-yl)pyrimidin-2-yl]cyclohexane-1,3-diamine

(1R)-1-N-[5-chloro-4-(3H-inden-1-yl)pyrimidin-2-yl]cyclohexane-1,3-diamine (PubChem CID 135252056) has the molecular formula C19H21ClN4 and a molecular weight of 340.86 g/mol. Its IUPAC name is (1R)-1-N-[5-chloro-4-(3H-inden-1-yl)pyrimidin-2-yl]cyclohexane-1,3-diamine.

Molecular Properties

Compound Name(1R)-1-N-[5-chloro-4-(3H-inden-1-yl)pyrimidin-2-yl]cyclohexane-1,3-diamine
PubChem CID135252056
Molecular FormulaC19H21ClN4
Molecular Weight340.86 g/mol
Exact Mass340.15
IUPAC Name(1R)-1-N-[5-chloro-4-(3H-inden-1-yl)pyrimidin-2-yl]cyclohexane-1,3-diamine
SMILESNC1CCC[C@@H](Nc2ncc(Cl)c(C3=CCc4ccccc43)n2)C1
InChIInChI=1S/C19H21ClN4/c20-17-11-22-19(23-14-6-3-5-13(21)10-14)24-18(17)16-9-8-12-4-1-2-7-15(12)16/h1-2,4,7,9,11,13-14H,3,5-6,8,10,21H2,(H,22,23,24)/t13?,14-/m1/s1
InChIKeyRFCQKBVHNOKDKS-ARLHGKGLSA-N
XLogP3.80
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.86
LogP ≤ 53.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (1R)-1-N-[5-chloro-4-(3H-inden-1-yl)pyrimidin-2-yl]cyclohexane-1,3-diamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (1R)-1-N-[5-chloro-4-(3H-inden-1-yl)pyrimidin-2-yl]cyclohexane-1,3-diamine?
The IUPAC name of (1R)-1-N-[5-chloro-4-(3H-inden-1-yl)pyrimidin-2-yl]cyclohexane-1,3-diamine (CID 135252056) is (1R)-1-N-[5-chloro-4-(3H-inden-1-yl)pyrimidin-2-yl]cyclohexane-1,3-diamine.
What is the SMILES notation for (1R)-1-N-[5-chloro-4-(3H-inden-1-yl)pyrimidin-2-yl]cyclohexane-1,3-diamine?
The canonical SMILES for (1R)-1-N-[5-chloro-4-(3H-inden-1-yl)pyrimidin-2-yl]cyclohexane-1,3-diamine is NC1CCC[C@@H](Nc2ncc(Cl)c(C3=CCc4ccccc43)n2)C1.
What is the InChIKey of (1R)-1-N-[5-chloro-4-(3H-inden-1-yl)pyrimidin-2-yl]cyclohexane-1,3-diamine?
The InChIKey is RFCQKBVHNOKDKS-ARLHGKGLSA-N. The full InChI is InChI=1S/C19H21ClN4/c20-17-11-22-19(23-14-6-3-5-13(21)10-14)24-18(17)16-9-8-12-4-1-2-7-15(12)16/h1-2,4,7,9,11,13-14H,3,5-6,8,10,21H2,(H,22,23,24)/t13?,14-/m1/s1.
What are the key properties of (1R)-1-N-[5-chloro-4-(3H-inden-1-yl)pyrimidin-2-yl]cyclohexane-1,3-diamine?
(1R)-1-N-[5-chloro-4-(3H-inden-1-yl)pyrimidin-2-yl]cyclohexane-1,3-diamine has a molecular weight of 340.86 g/mol, XLogP of 3.80, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-N-[5-chloro-4-(3H-inden-1-yl)pyrimidin-2-yl]cyclohexane-1,3-diamine is sourced from PubChem (CID 135252056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).