4-N-tert-butyl-2-N-(pyridin-3-ylmethyl)pyrimidine-2,4-diamine

C14H19N5 — CID 112893591

IUPAC4-N-tert-butyl-2-N-(pyridin-3-ylmethyl)pyrimidine-2,4-diamine
SMILESCC(C)(C)Nc1ccnc(NCc2cccnc2)n1
InChIInChI=1S/C14H19N5/c1-14(2,3)19-12-6-8-16-13(18-12)17-10-11-5-4-7-15-9-11/h4-9H,10H2,1-3H3,(H2,16,17,18,19)
InChIKeyQURNXQZISZRDHB-UHFFFAOYSA-N
MW257.34 g/mol
LogP2.69
Rot. Bonds4

About 4-N-tert-butyl-2-N-(pyridin-3-ylmethyl)pyrimidine-2,4-diamine

4-N-tert-butyl-2-N-(pyridin-3-ylmethyl)pyrimidine-2,4-diamine (PubChem CID 112893591) has the molecular formula C14H19N5 and a molecular weight of 257.34 g/mol. Its IUPAC name is 4-N-tert-butyl-2-N-(pyridin-3-ylmethyl)pyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N-tert-butyl-2-N-(pyridin-3-ylmethyl)pyrimidine-2,4-diamine
PubChem CID112893591
Molecular FormulaC14H19N5
Molecular Weight257.34 g/mol
Exact Mass257.16
IUPAC Name4-N-tert-butyl-2-N-(pyridin-3-ylmethyl)pyrimidine-2,4-diamine
SMILESCC(C)(C)Nc1ccnc(NCc2cccnc2)n1
InChIInChI=1S/C14H19N5/c1-14(2,3)19-12-6-8-16-13(18-12)17-10-11-5-4-7-15-9-11/h4-9H,10H2,1-3H3,(H2,16,17,18,19)
InChIKeyQURNXQZISZRDHB-UHFFFAOYSA-N
XLogP2.69
TPSA62.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.34
LogP ≤ 52.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-N-benzyl-2-N-(pyridin-3-ylmethyl)pyrimidine-2,4-diamine
CID 112889409
4-chloro-N-(pyridin-3-ylmethyl)pyrimidin-2-amine
CID 82676696
4-N-[(3-methylphenyl)methyl]-2-N-(pyridin-3-ylmethyl)pyrimidine-2,4-diamine
CID 112889977
2-hydrazinyl-N-(pyridin-3-ylmethyl)pyrimidin-4-amine
CID 80944833
2-N-tert-butyl-6-methyl-4-N-(pyridin-3-ylmethyl)pyrimidine-2,4-diamine
CID 112919442
4-N-cyclohexyl-2-N-(pyridin-3-ylmethyl)pyrimidine-2,4-diamine
CID 112884771
4-N-(4-bromophenyl)-2-N-(pyridin-3-ylmethyl)pyrimidine-2,4-diamine
CID 112893614
2-N-(4-ethylphenyl)-4-N-(pyridin-3-ylmethyl)pyrimidine-2,4-diamine
CID 112893462
2-(pyridin-3-ylmethylamino)pyrimidine-4-carbaldehyde
CID 53406427
2-[[2-(pyridin-3-ylmethylamino)pyrimidin-4-yl]amino]benzonitrile
CID 112893660
2-N-(5-methyl-1,2-oxazol-3-yl)-4-N-(pyridin-3-ylmethyl)pyrimidine-2,4-diamine
CID 112893554
4-N-[2-(3-chlorophenyl)ethyl]-2-N-(pyridin-3-ylmethyl)pyrimidine-2,4-diamine
CID 112893601

Frequently Asked Questions

What is the IUPAC name of 4-N-tert-butyl-2-N-(pyridin-3-ylmethyl)pyrimidine-2,4-diamine?
The IUPAC name of 4-N-tert-butyl-2-N-(pyridin-3-ylmethyl)pyrimidine-2,4-diamine (CID 112893591) is 4-N-tert-butyl-2-N-(pyridin-3-ylmethyl)pyrimidine-2,4-diamine.
What is the SMILES notation for 4-N-tert-butyl-2-N-(pyridin-3-ylmethyl)pyrimidine-2,4-diamine?
The canonical SMILES for 4-N-tert-butyl-2-N-(pyridin-3-ylmethyl)pyrimidine-2,4-diamine is CC(C)(C)Nc1ccnc(NCc2cccnc2)n1.
What is the InChIKey of 4-N-tert-butyl-2-N-(pyridin-3-ylmethyl)pyrimidine-2,4-diamine?
The InChIKey is QURNXQZISZRDHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N5/c1-14(2,3)19-12-6-8-16-13(18-12)17-10-11-5-4-7-15-9-11/h4-9H,10H2,1-3H3,(H2,16,17,18,19).
What are the key properties of 4-N-tert-butyl-2-N-(pyridin-3-ylmethyl)pyrimidine-2,4-diamine?
4-N-tert-butyl-2-N-(pyridin-3-ylmethyl)pyrimidine-2,4-diamine has a molecular weight of 257.34 g/mol, XLogP of 2.69, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-tert-butyl-2-N-(pyridin-3-ylmethyl)pyrimidine-2,4-diamine is sourced from PubChem (CID 112893591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).