4-N-butan-2-yl-2-methyl-6-N-(pyridin-4-ylmethyl)pyrimidine-4,6-diamine

C15H21N5 — CID 112868253

IUPAC4-N-butan-2-yl-2-methyl-6-N-(pyridin-4-ylmethyl)pyrimidine-4,6-diamine
SMILESCCC(C)Nc1cc(NCc2ccncc2)nc(C)n1
InChIInChI=1S/C15H21N5/c1-4-11(2)18-15-9-14(19-12(3)20-15)17-10-13-5-7-16-8-6-13/h5-9,11H,4,10H2,1-3H3,(H2,17,18,19,20)
InChIKeyVQTRLAMMRNHNCV-UHFFFAOYSA-N
MW271.37 g/mol
LogP3.00
Rot. Bonds6

About 4-N-butan-2-yl-2-methyl-6-N-(pyridin-4-ylmethyl)pyrimidine-4,6-diamine

4-N-butan-2-yl-2-methyl-6-N-(pyridin-4-ylmethyl)pyrimidine-4,6-diamine (PubChem CID 112868253) has the molecular formula C15H21N5 and a molecular weight of 271.37 g/mol. Its IUPAC name is 4-N-butan-2-yl-2-methyl-6-N-(pyridin-4-ylmethyl)pyrimidine-4,6-diamine.

Molecular Properties

Compound Name4-N-butan-2-yl-2-methyl-6-N-(pyridin-4-ylmethyl)pyrimidine-4,6-diamine
PubChem CID112868253
Molecular FormulaC15H21N5
Molecular Weight271.37 g/mol
Exact Mass271.18
IUPAC Name4-N-butan-2-yl-2-methyl-6-N-(pyridin-4-ylmethyl)pyrimidine-4,6-diamine
SMILESCCC(C)Nc1cc(NCc2ccncc2)nc(C)n1
InChIInChI=1S/C15H21N5/c1-4-11(2)18-15-9-14(19-12(3)20-15)17-10-13-5-7-16-8-6-13/h5-9,11H,4,10H2,1-3H3,(H2,17,18,19,20)
InChIKeyVQTRLAMMRNHNCV-UHFFFAOYSA-N
XLogP3.00
TPSA62.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.37
LogP ≤ 53.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-N-butan-2-yl-2-methyl-6-N-[(4-methylphenyl)methyl]pyrimidine-4,6-diamine
CID 112868240
6-N-(1,3-benzodioxol-5-ylmethyl)-4-N-butan-2-yl-2-methylpyrimidine-4,6-diamine
CID 112868249
2-methyl-4-N-(4-propan-2-yloxyphenyl)-6-N-(pyridin-4-ylmethyl)pyrimidine-4,6-diamine
CID 112873618
4-N-benzyl-2-N-butan-2-yl-6-methylpyrimidine-2,4-diamine
CID 112909056
6-N-(3-methoxypropyl)-2-methyl-4-N-(pyridin-4-ylmethyl)pyrimidine-4,6-diamine
CID 112869661
4-N-(3-chloro-4-methylphenyl)-2-methyl-6-N-(pyridin-4-ylmethyl)pyrimidine-4,6-diamine
CID 112873604
N-[(2S)-butan-2-yl]-6-chloro-2-methylpyrimidin-4-amine
CID 94454151
4-N-butan-2-yl-6-N-(3-methoxypropyl)-2-methylpyrimidine-4,6-diamine
CID 112868226
4-N-(4-chloro-2-methylphenyl)-2-methyl-6-N-(pyridin-4-ylmethyl)pyrimidine-4,6-diamine
CID 112873603
6-N-ethyl-4-N-(pyridin-4-ylmethyl)pyrimidine-2,4,6-triamine
CID 80772345
6-N-ethyl-4-N-(pyridin-4-ylmethyl)-2-(trifluoromethyl)pyrimidine-4,6-diamine
CID 106770554
4-N-(2,4-dichlorophenyl)-2-methyl-6-N-(pyridin-4-ylmethyl)pyrimidine-4,6-diamine
CID 112873662

Frequently Asked Questions

What is the IUPAC name of 4-N-butan-2-yl-2-methyl-6-N-(pyridin-4-ylmethyl)pyrimidine-4,6-diamine?
The IUPAC name of 4-N-butan-2-yl-2-methyl-6-N-(pyridin-4-ylmethyl)pyrimidine-4,6-diamine (CID 112868253) is 4-N-butan-2-yl-2-methyl-6-N-(pyridin-4-ylmethyl)pyrimidine-4,6-diamine.
What is the SMILES notation for 4-N-butan-2-yl-2-methyl-6-N-(pyridin-4-ylmethyl)pyrimidine-4,6-diamine?
The canonical SMILES for 4-N-butan-2-yl-2-methyl-6-N-(pyridin-4-ylmethyl)pyrimidine-4,6-diamine is CCC(C)Nc1cc(NCc2ccncc2)nc(C)n1.
What is the InChIKey of 4-N-butan-2-yl-2-methyl-6-N-(pyridin-4-ylmethyl)pyrimidine-4,6-diamine?
The InChIKey is VQTRLAMMRNHNCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N5/c1-4-11(2)18-15-9-14(19-12(3)20-15)17-10-13-5-7-16-8-6-13/h5-9,11H,4,10H2,1-3H3,(H2,17,18,19,20).
What are the key properties of 4-N-butan-2-yl-2-methyl-6-N-(pyridin-4-ylmethyl)pyrimidine-4,6-diamine?
4-N-butan-2-yl-2-methyl-6-N-(pyridin-4-ylmethyl)pyrimidine-4,6-diamine has a molecular weight of 271.37 g/mol, XLogP of 3.00, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-butan-2-yl-2-methyl-6-N-(pyridin-4-ylmethyl)pyrimidine-4,6-diamine is sourced from PubChem (CID 112868253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).