5-methyl-4-N-(2-methylpentan-3-yl)-2-propylpyrimidine-4,6-diamine

C14H26N4 — CID 80987275

IUPAC5-methyl-4-N-(2-methylpentan-3-yl)-2-propylpyrimidine-4,6-diamine
SMILESCCCc1nc(N)c(C)c(NC(CC)C(C)C)n1
InChIInChI=1S/C14H26N4/c1-6-8-12-17-13(15)10(5)14(18-12)16-11(7-2)9(3)4/h9,11H,6-8H2,1-5H3,(H3,15,16,17,18)
InChIKeyPATZBLYUWQKDJH-UHFFFAOYSA-N
MW250.39 g/mol
LogP3.17
Rot. Bonds6

About 5-methyl-4-N-(2-methylpentan-3-yl)-2-propylpyrimidine-4,6-diamine

5-methyl-4-N-(2-methylpentan-3-yl)-2-propylpyrimidine-4,6-diamine (PubChem CID 80987275) has the molecular formula C14H26N4 and a molecular weight of 250.39 g/mol. Its IUPAC name is 5-methyl-4-N-(2-methylpentan-3-yl)-2-propylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name5-methyl-4-N-(2-methylpentan-3-yl)-2-propylpyrimidine-4,6-diamine
PubChem CID80987275
Molecular FormulaC14H26N4
Molecular Weight250.39 g/mol
Exact Mass250.22
IUPAC Name5-methyl-4-N-(2-methylpentan-3-yl)-2-propylpyrimidine-4,6-diamine
SMILESCCCc1nc(N)c(C)c(NC(CC)C(C)C)n1
InChIInChI=1S/C14H26N4/c1-6-8-12-17-13(15)10(5)14(18-12)16-11(7-2)9(3)4/h9,11H,6-8H2,1-5H3,(H3,15,16,17,18)
InChIKeyPATZBLYUWQKDJH-UHFFFAOYSA-N
XLogP3.17
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.39
LogP ≤ 53.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-ethyl-5-methyl-4-N-(2-methylpentan-3-yl)pyrimidine-4,6-diamine
CID 80987277
3-[(6-amino-5-methyl-2-propylpyrimidin-4-yl)amino]-4-methylpentan-1-ol
CID 106358092
6-chloro-5-methyl-N-(2-methylpentan-3-yl)-2-propylpyrimidin-4-amine
CID 80971489
4-N-(3,3-dimethylbutan-2-yl)-5-methyl-2-propylpyrimidine-4,6-diamine
CID 104830532
5-methyl-2-propyl-4-N-(2,3,3-trimethylbutyl)pyrimidine-4,6-diamine
CID 83146362
5-methyl-4-N-(1-phenylethyl)-2-propylpyrimidine-4,6-diamine
CID 80981407
1-[(6-amino-5-methyl-2-propylpyrimidin-4-yl)amino]-3-methylbutan-2-ol
CID 113493096
5-methyl-4-N-(3-methylbutyl)-2-propylpyrimidine-4,6-diamine
CID 80981770
3-[(6-amino-5-methyl-2-propylpyrimidin-4-yl)amino]-2-methylsulfanylbutan-1-ol
CID 106163416
(2S)-2-[[6-(ethylamino)-5-methyl-2-propylpyrimidin-4-yl]amino]-3-methylbutan-1-ol
CID 80992204
5-methyl-4-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]-2-propylpyrimidine-4,6-diamine
CID 106390334
5-methyl-2-propyl-4-N-(1-thiophen-3-ylpropan-2-yl)pyrimidine-4,6-diamine
CID 80987707

Frequently Asked Questions

What is the IUPAC name of 5-methyl-4-N-(2-methylpentan-3-yl)-2-propylpyrimidine-4,6-diamine?
The IUPAC name of 5-methyl-4-N-(2-methylpentan-3-yl)-2-propylpyrimidine-4,6-diamine (CID 80987275) is 5-methyl-4-N-(2-methylpentan-3-yl)-2-propylpyrimidine-4,6-diamine.
What is the SMILES notation for 5-methyl-4-N-(2-methylpentan-3-yl)-2-propylpyrimidine-4,6-diamine?
The canonical SMILES for 5-methyl-4-N-(2-methylpentan-3-yl)-2-propylpyrimidine-4,6-diamine is CCCc1nc(N)c(C)c(NC(CC)C(C)C)n1.
What is the InChIKey of 5-methyl-4-N-(2-methylpentan-3-yl)-2-propylpyrimidine-4,6-diamine?
The InChIKey is PATZBLYUWQKDJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N4/c1-6-8-12-17-13(15)10(5)14(18-12)16-11(7-2)9(3)4/h9,11H,6-8H2,1-5H3,(H3,15,16,17,18).
What are the key properties of 5-methyl-4-N-(2-methylpentan-3-yl)-2-propylpyrimidine-4,6-diamine?
5-methyl-4-N-(2-methylpentan-3-yl)-2-propylpyrimidine-4,6-diamine has a molecular weight of 250.39 g/mol, XLogP of 3.17, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-4-N-(2-methylpentan-3-yl)-2-propylpyrimidine-4,6-diamine is sourced from PubChem (CID 80987275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).