6-chloro-2-N-(2,2-dimethylpropyl)-4-N-(3,4,5-trimethoxyphenyl)pyrimidine-2,4-diamine

C18H25ClN4O3 — CID 20785920

IUPAC6-chloro-2-N-(2,2-dimethylpropyl)-4-N-(3,4,5-trimethoxyphenyl)pyrimidine-2,4-diamine
SMILESCOc1cc(Nc2cc(Cl)nc(NCC(C)(C)C)n2)cc(OC)c1OC
InChIInChI=1S/C18H25ClN4O3/c1-18(2,3)10-20-17-22-14(19)9-15(23-17)21-11-7-12(24-4)16(26-6)13(8-11)25-5/h7-9H,10H2,1-6H3,(H2,20,21,22,23)
InChIKeyZDGAYUXMRHLLQY-UHFFFAOYSA-N
MW380.88 g/mol
LogP4.36
Rot. Bonds7

About 6-chloro-2-N-(2,2-dimethylpropyl)-4-N-(3,4,5-trimethoxyphenyl)pyrimidine-2,4-diamine

6-chloro-2-N-(2,2-dimethylpropyl)-4-N-(3,4,5-trimethoxyphenyl)pyrimidine-2,4-diamine (PubChem CID 20785920) has the molecular formula C18H25ClN4O3 and a molecular weight of 380.88 g/mol. Its IUPAC name is 6-chloro-2-N-(2,2-dimethylpropyl)-4-N-(3,4,5-trimethoxyphenyl)pyrimidine-2,4-diamine.

Molecular Properties

Compound Name6-chloro-2-N-(2,2-dimethylpropyl)-4-N-(3,4,5-trimethoxyphenyl)pyrimidine-2,4-diamine
PubChem CID20785920
Molecular FormulaC18H25ClN4O3
Molecular Weight380.88 g/mol
Exact Mass380.16
IUPAC Name6-chloro-2-N-(2,2-dimethylpropyl)-4-N-(3,4,5-trimethoxyphenyl)pyrimidine-2,4-diamine
SMILESCOc1cc(Nc2cc(Cl)nc(NCC(C)(C)C)n2)cc(OC)c1OC
InChIInChI=1S/C18H25ClN4O3/c1-18(2,3)10-20-17-22-14(19)9-15(23-17)21-11-7-12(24-4)16(26-6)13(8-11)25-5/h7-9H,10H2,1-6H3,(H2,20,21,22,23)
InChIKeyZDGAYUXMRHLLQY-UHFFFAOYSA-N
XLogP4.36
TPSA77.53 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.88
LogP ≤ 54.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

6-chloro-N-(3,4,5-trimethoxyphenyl)pyrazin-2-amine
CID 11609049
6-methyl-2-N-pentyl-4-N-(3,4,5-trimethoxyphenyl)pyrimidine-2,4-diamine
CID 112925562
2-N-(3,5-dimethylphenyl)-6-methyl-4-N-(3,4,5-trimethoxyphenyl)pyrimidine-2,4-diamine
CID 112928352
2-N-(2-chlorophenyl)-4-N-(3,4,5-trimethoxyphenyl)pyrimidine-2,4-diamine
CID 112903653
4-N-tert-butyl-6-methyl-2-N-(3,4,5-trimethoxyphenyl)pyrimidine-2,4-diamine
CID 112924723
4-chloro-N-(3,4,5-trimethoxyphenyl)-1,3,5-triazin-2-amine
CID 22028121
4-N-[(4-methoxyphenyl)methyl]-2-N-(3,4,5-trimethoxyphenyl)pyrimidine-2,4-diamine
CID 112892502
2-N-[4-(trifluoromethyl)phenyl]-4-N-(3,4,5-trimethoxyphenyl)pyrimidine-2,4-diamine
CID 117091406
N-(5-tert-butyl-1H-pyrazol-3-yl)-2-chloropyrimidin-4-amine;4-N-(5-tert-butyl-1H-pyrazol-3-yl)-2-N-(3,4,5-trimethoxyphenyl)pyrimidine-2,4-diamine;methane
CID 159389475
3-N-[(2-methoxyphenyl)methyl]-5-N-(3,4,5-trimethoxyphenyl)-1,2,4-triazine-3,5-diamine
CID 112951002
4-N-(3,4,5-trimethoxyphenyl)-2-N-(2,4,6-trimethylphenyl)pyrimidine-2,4-diamine
CID 112903224
2-N-cyclopentyl-4-N-(3,4,5-trimethoxyphenyl)pyrimidine-2,4-diamine
CID 112884414

Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-N-(2,2-dimethylpropyl)-4-N-(3,4,5-trimethoxyphenyl)pyrimidine-2,4-diamine?
The IUPAC name of 6-chloro-2-N-(2,2-dimethylpropyl)-4-N-(3,4,5-trimethoxyphenyl)pyrimidine-2,4-diamine (CID 20785920) is 6-chloro-2-N-(2,2-dimethylpropyl)-4-N-(3,4,5-trimethoxyphenyl)pyrimidine-2,4-diamine.
What is the SMILES notation for 6-chloro-2-N-(2,2-dimethylpropyl)-4-N-(3,4,5-trimethoxyphenyl)pyrimidine-2,4-diamine?
The canonical SMILES for 6-chloro-2-N-(2,2-dimethylpropyl)-4-N-(3,4,5-trimethoxyphenyl)pyrimidine-2,4-diamine is COc1cc(Nc2cc(Cl)nc(NCC(C)(C)C)n2)cc(OC)c1OC.
What is the InChIKey of 6-chloro-2-N-(2,2-dimethylpropyl)-4-N-(3,4,5-trimethoxyphenyl)pyrimidine-2,4-diamine?
The InChIKey is ZDGAYUXMRHLLQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25ClN4O3/c1-18(2,3)10-20-17-22-14(19)9-15(23-17)21-11-7-12(24-4)16(26-6)13(8-11)25-5/h7-9H,10H2,1-6H3,(H2,20,21,22,23).
What are the key properties of 6-chloro-2-N-(2,2-dimethylpropyl)-4-N-(3,4,5-trimethoxyphenyl)pyrimidine-2,4-diamine?
6-chloro-2-N-(2,2-dimethylpropyl)-4-N-(3,4,5-trimethoxyphenyl)pyrimidine-2,4-diamine has a molecular weight of 380.88 g/mol, XLogP of 4.36, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-N-(2,2-dimethylpropyl)-4-N-(3,4,5-trimethoxyphenyl)pyrimidine-2,4-diamine is sourced from PubChem (CID 20785920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).