4-N-(5-tert-butyl-1H-pyrazol-3-yl)-2-N-[4-(pyridin-3-ylmethyl)phenyl]pyrimidine-2,4-diamine

C23H25N7 — CID 10111548

IUPAC4-N-(5-tert-butyl-1H-pyrazol-3-yl)-2-N-[4-(pyridin-3-ylmethyl)phenyl]pyrimidine-2,4-diamine
SMILESCC(C)(C)c1cc(Nc2ccnc(Nc3ccc(Cc4cccnc4)cc3)n2)n[nH]1
InChIInChI=1S/C23H25N7/c1-23(2,3)19-14-21(30-29-19)27-20-10-12-25-22(28-20)26-18-8-6-16(7-9-18)13-17-5-4-11-24-15-17/h4-12,14-15H,13H2,1-3H3,(H3,25,26,27,28,29,30)
InChIKeyQQTDQJPSUKJHDC-UHFFFAOYSA-N
MW399.50 g/mol
LogP4.97
Rot. Bonds6

About 4-N-(5-tert-butyl-1H-pyrazol-3-yl)-2-N-[4-(pyridin-3-ylmethyl)phenyl]pyrimidine-2,4-diamine

4-N-(5-tert-butyl-1H-pyrazol-3-yl)-2-N-[4-(pyridin-3-ylmethyl)phenyl]pyrimidine-2,4-diamine (PubChem CID 10111548) has the molecular formula C23H25N7 and a molecular weight of 399.50 g/mol. Its IUPAC name is 4-N-(5-tert-butyl-1H-pyrazol-3-yl)-2-N-[4-(pyridin-3-ylmethyl)phenyl]pyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N-(5-tert-butyl-1H-pyrazol-3-yl)-2-N-[4-(pyridin-3-ylmethyl)phenyl]pyrimidine-2,4-diamine
PubChem CID10111548
Molecular FormulaC23H25N7
Molecular Weight399.50 g/mol
Exact Mass399.22
IUPAC Name4-N-(5-tert-butyl-1H-pyrazol-3-yl)-2-N-[4-(pyridin-3-ylmethyl)phenyl]pyrimidine-2,4-diamine
SMILESCC(C)(C)c1cc(Nc2ccnc(Nc3ccc(Cc4cccnc4)cc3)n2)n[nH]1
InChIInChI=1S/C23H25N7/c1-23(2,3)19-14-21(30-29-19)27-20-10-12-25-22(28-20)26-18-8-6-16(7-9-18)13-17-5-4-11-24-15-17/h4-12,14-15H,13H2,1-3H3,(H3,25,26,27,28,29,30)
InChIKeyQQTDQJPSUKJHDC-UHFFFAOYSA-N
XLogP4.97
TPSA91.41 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.50
LogP ≤ 54.97
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

2-N-(4-ethylphenyl)-4-N-(pyridin-3-ylmethyl)pyrimidine-2,4-diamine
CID 112893462
[4-[[4-[(5-tert-butyl-1H-pyrazol-3-yl)amino]-1,3,5-triazin-2-yl]amino]phenyl]methanol
CID 23536033
4-N-(4-bromophenyl)-2-N-(pyridin-3-ylmethyl)pyrimidine-2,4-diamine
CID 112893614
4-N-[4-(methylamino)phenyl]-2-N-(5-methyl-1H-pyrazol-3-yl)-6-N-(pyridin-3-ylmethyl)-1,3,5-triazine-2,4,6-triamine
CID 20607287
tert-butyl 2-[3-[[4-[(5-tert-butyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]phenoxy]acetate
CID 142226121
4-N-tert-butyl-2-N-(pyridin-3-ylmethyl)pyrimidine-2,4-diamine
CID 112893591
2-N-(4-phenoxyphenyl)-4-N-(pyridin-3-ylmethyl)pyrimidine-2,4-diamine
CID 112893518
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
4-N-[4-chloro-3-(trifluoromethyl)phenyl]-2-N-(pyridin-3-ylmethyl)pyrimidine-2,4-diamine
CID 112893647
2-N-(5-methyl-1,2-oxazol-3-yl)-4-N-(pyridin-3-ylmethyl)pyrimidine-2,4-diamine
CID 112893554
4-N-(4-piperidin-1-ylphenyl)-2-N-(pyridin-3-ylmethyl)pyrimidine-2,4-diamine
CID 112893631
2-[4-[[4-[[2-(tert-butylamino)-3,4-dioxocyclobuten-1-yl]amino]pyrimidin-2-yl]amino]phenyl]-N-(pyridin-3-ylmethyl)acetamide
CID 87312515

Frequently Asked Questions

What is the IUPAC name of 4-N-(5-tert-butyl-1H-pyrazol-3-yl)-2-N-[4-(pyridin-3-ylmethyl)phenyl]pyrimidine-2,4-diamine?
The IUPAC name of 4-N-(5-tert-butyl-1H-pyrazol-3-yl)-2-N-[4-(pyridin-3-ylmethyl)phenyl]pyrimidine-2,4-diamine (CID 10111548) is 4-N-(5-tert-butyl-1H-pyrazol-3-yl)-2-N-[4-(pyridin-3-ylmethyl)phenyl]pyrimidine-2,4-diamine.
What is the SMILES notation for 4-N-(5-tert-butyl-1H-pyrazol-3-yl)-2-N-[4-(pyridin-3-ylmethyl)phenyl]pyrimidine-2,4-diamine?
The canonical SMILES for 4-N-(5-tert-butyl-1H-pyrazol-3-yl)-2-N-[4-(pyridin-3-ylmethyl)phenyl]pyrimidine-2,4-diamine is CC(C)(C)c1cc(Nc2ccnc(Nc3ccc(Cc4cccnc4)cc3)n2)n[nH]1.
What is the InChIKey of 4-N-(5-tert-butyl-1H-pyrazol-3-yl)-2-N-[4-(pyridin-3-ylmethyl)phenyl]pyrimidine-2,4-diamine?
The InChIKey is QQTDQJPSUKJHDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N7/c1-23(2,3)19-14-21(30-29-19)27-20-10-12-25-22(28-20)26-18-8-6-16(7-9-18)13-17-5-4-11-24-15-17/h4-12,14-15H,13H2,1-3H3,(H3,25,26,27,28,29,30).
What are the key properties of 4-N-(5-tert-butyl-1H-pyrazol-3-yl)-2-N-[4-(pyridin-3-ylmethyl)phenyl]pyrimidine-2,4-diamine?
4-N-(5-tert-butyl-1H-pyrazol-3-yl)-2-N-[4-(pyridin-3-ylmethyl)phenyl]pyrimidine-2,4-diamine has a molecular weight of 399.50 g/mol, XLogP of 4.97, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(5-tert-butyl-1H-pyrazol-3-yl)-2-N-[4-(pyridin-3-ylmethyl)phenyl]pyrimidine-2,4-diamine is sourced from PubChem (CID 10111548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).