4-N-(1-adamantyl)-6-N-(3-chlorophenyl)pyrimidine-4,5,6-triamine

C20H24ClN5 — CID 19143460

IUPAC4-N-(1-adamantyl)-6-N-(3-chlorophenyl)pyrimidine-4,5,6-triamine
SMILESNc1c(Nc2cccc(Cl)c2)ncnc1NC12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C20H24ClN5/c21-15-2-1-3-16(7-15)25-18-17(22)19(24-11-23-18)26-20-8-12-4-13(9-20)6-14(5-12)10-20/h1-3,7,11-14H,4-6,8-10,22H2,(H2,23,24,25,26)
InChIKeyHUWQFDNKKKLGQH-UHFFFAOYSA-N
MW369.90 g/mol
LogP4.84
Rot. Bonds4

About 4-N-(1-adamantyl)-6-N-(3-chlorophenyl)pyrimidine-4,5,6-triamine

4-N-(1-adamantyl)-6-N-(3-chlorophenyl)pyrimidine-4,5,6-triamine (PubChem CID 19143460) has the molecular formula C20H24ClN5 and a molecular weight of 369.90 g/mol. Its IUPAC name is 4-N-(1-adamantyl)-6-N-(3-chlorophenyl)pyrimidine-4,5,6-triamine.

Molecular Properties

Compound Name4-N-(1-adamantyl)-6-N-(3-chlorophenyl)pyrimidine-4,5,6-triamine
PubChem CID19143460
Molecular FormulaC20H24ClN5
Molecular Weight369.90 g/mol
Exact Mass369.17
IUPAC Name4-N-(1-adamantyl)-6-N-(3-chlorophenyl)pyrimidine-4,5,6-triamine
SMILESNc1c(Nc2cccc(Cl)c2)ncnc1NC12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C20H24ClN5/c21-15-2-1-3-16(7-15)25-18-17(22)19(24-11-23-18)26-20-8-12-4-13(9-20)6-14(5-12)10-20/h1-3,7,11-14H,4-6,8-10,22H2,(H2,23,24,25,26)
InChIKeyHUWQFDNKKKLGQH-UHFFFAOYSA-N
XLogP4.84
TPSA75.86 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.90
LogP ≤ 54.84
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

6-N-(3-chlorophenyl)-4-N-(3,5-dichlorophenyl)pyrimidine-4,5,6-triamine
CID 22544979
4-N-(1-adamantyl)-6-N-(4-bromophenyl)pyrimidine-4,5,6-triamine
CID 19143464
4-N-(3-chlorophenyl)-6-N-(3-methylphenyl)pyrimidine-4,5,6-triamine
CID 19148233
6-N-(3-chlorophenyl)-4-N-(5-chloro-2-pyridinyl)pyrimidine-4,5,6-triamine
CID 19147078
4-N-(1-adamantyl)-6-N-(4-ethoxyphenyl)pyrimidine-4,5,6-triamine
CID 19143468
6-N-(3-chlorophenyl)-4-N-pyridin-3-ylpyrimidine-4,5,6-triamine
CID 19145427
6-N-(3-chlorophenyl)-4-N-(2,3-dichlorophenyl)pyrimidine-4,5,6-triamine
CID 19146835
4-N-(1-adamantyl)-6-N-[(2-chlorophenyl)methyl]pyrimidine-4,5,6-triamine
CID 19143547
6-N-(3-chlorophenyl)-4-N-(4,5-dimethyl-1,3-thiazol-2-yl)pyrimidine-4,5,6-triamine
CID 19148355
4-N-(1-adamantyl)-6-phenoxypyrimidine-4,5-diamine
CID 19143509
4-N-(3-chlorophenyl)-6-(4-chlorophenyl)sulfanylpyrimidine-4,5-diamine
CID 19136585
4-N-(3-chlorophenyl)quinazoline-4,7-diamine
CID 5328193

Frequently Asked Questions

What is the IUPAC name of 4-N-(1-adamantyl)-6-N-(3-chlorophenyl)pyrimidine-4,5,6-triamine?
The IUPAC name of 4-N-(1-adamantyl)-6-N-(3-chlorophenyl)pyrimidine-4,5,6-triamine (CID 19143460) is 4-N-(1-adamantyl)-6-N-(3-chlorophenyl)pyrimidine-4,5,6-triamine.
What is the SMILES notation for 4-N-(1-adamantyl)-6-N-(3-chlorophenyl)pyrimidine-4,5,6-triamine?
The canonical SMILES for 4-N-(1-adamantyl)-6-N-(3-chlorophenyl)pyrimidine-4,5,6-triamine is Nc1c(Nc2cccc(Cl)c2)ncnc1NC12CC3CC(CC(C3)C1)C2.
What is the InChIKey of 4-N-(1-adamantyl)-6-N-(3-chlorophenyl)pyrimidine-4,5,6-triamine?
The InChIKey is HUWQFDNKKKLGQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24ClN5/c21-15-2-1-3-16(7-15)25-18-17(22)19(24-11-23-18)26-20-8-12-4-13(9-20)6-14(5-12)10-20/h1-3,7,11-14H,4-6,8-10,22H2,(H2,23,24,25,26).
What are the key properties of 4-N-(1-adamantyl)-6-N-(3-chlorophenyl)pyrimidine-4,5,6-triamine?
4-N-(1-adamantyl)-6-N-(3-chlorophenyl)pyrimidine-4,5,6-triamine has a molecular weight of 369.90 g/mol, XLogP of 4.84, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(1-adamantyl)-6-N-(3-chlorophenyl)pyrimidine-4,5,6-triamine is sourced from PubChem (CID 19143460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).