3-[(6-amino-5-methyl-2-propylpyrimidin-4-yl)amino]-4-methylpentan-1-ol

C14H26N4O — CID 106358092

IUPAC3-[(6-amino-5-methyl-2-propylpyrimidin-4-yl)amino]-4-methylpentan-1-ol
SMILESCCCc1nc(N)c(C)c(NC(CCO)C(C)C)n1
InChIInChI=1S/C14H26N4O/c1-5-6-12-17-13(15)10(4)14(18-12)16-11(7-8-19)9(2)3/h9,11,19H,5-8H2,1-4H3,(H3,15,16,17,18)
InChIKeyMENKXKHTVKLNOV-UHFFFAOYSA-N
MW266.39 g/mol
LogP2.14
Rot. Bonds7

About 3-[(6-amino-5-methyl-2-propylpyrimidin-4-yl)amino]-4-methylpentan-1-ol

3-[(6-amino-5-methyl-2-propylpyrimidin-4-yl)amino]-4-methylpentan-1-ol (PubChem CID 106358092) has the molecular formula C14H26N4O and a molecular weight of 266.39 g/mol. Its IUPAC name is 3-[(6-amino-5-methyl-2-propylpyrimidin-4-yl)amino]-4-methylpentan-1-ol.

Molecular Properties

Compound Name3-[(6-amino-5-methyl-2-propylpyrimidin-4-yl)amino]-4-methylpentan-1-ol
PubChem CID106358092
Molecular FormulaC14H26N4O
Molecular Weight266.39 g/mol
Exact Mass266.21
IUPAC Name3-[(6-amino-5-methyl-2-propylpyrimidin-4-yl)amino]-4-methylpentan-1-ol
SMILESCCCc1nc(N)c(C)c(NC(CCO)C(C)C)n1
InChIInChI=1S/C14H26N4O/c1-5-6-12-17-13(15)10(4)14(18-12)16-11(7-8-19)9(2)3/h9,11,19H,5-8H2,1-4H3,(H3,15,16,17,18)
InChIKeyMENKXKHTVKLNOV-UHFFFAOYSA-N
XLogP2.14
TPSA84.06 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.39
LogP ≤ 52.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

5-methyl-4-N-(2-methylpentan-3-yl)-2-propylpyrimidine-4,6-diamine
CID 80987275
4-N-(3,3-dimethylbutan-2-yl)-5-methyl-2-propylpyrimidine-4,6-diamine
CID 104830532
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]-2-methylsulfanylbutan-1-ol
CID 106163416
(2S)-2-[[6-(ethylamino)-5-methyl-2-propylpyrimidin-4-yl]amino]-3-methylbutan-1-ol
CID 80992204
1-[(6-amino-5-methyl-2-propylpyrimidin-4-yl)amino]-3-methylbutan-2-ol
CID 113493096
3-[(6-chloro-2-ethyl-5-methylpyrimidin-4-yl)amino]-4-methylpentan-1-ol
CID 114177389
5-[(6-amino-5-methyl-2-propylpyrimidin-4-yl)amino]-2-methylpentan-1-ol
CID 106163224
5-methyl-4-N-(3-methylbutyl)-2-propylpyrimidine-4,6-diamine
CID 80981770
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
6-chloro-5-methyl-N-(2-methylpentan-3-yl)-2-propylpyrimidin-4-amine
CID 80971489

Frequently Asked Questions

What is the IUPAC name of 3-[(6-amino-5-methyl-2-propylpyrimidin-4-yl)amino]-4-methylpentan-1-ol?
The IUPAC name of 3-[(6-amino-5-methyl-2-propylpyrimidin-4-yl)amino]-4-methylpentan-1-ol (CID 106358092) is 3-[(6-amino-5-methyl-2-propylpyrimidin-4-yl)amino]-4-methylpentan-1-ol.
What is the SMILES notation for 3-[(6-amino-5-methyl-2-propylpyrimidin-4-yl)amino]-4-methylpentan-1-ol?
The canonical SMILES for 3-[(6-amino-5-methyl-2-propylpyrimidin-4-yl)amino]-4-methylpentan-1-ol is CCCc1nc(N)c(C)c(NC(CCO)C(C)C)n1.
What is the InChIKey of 3-[(6-amino-5-methyl-2-propylpyrimidin-4-yl)amino]-4-methylpentan-1-ol?
The InChIKey is MENKXKHTVKLNOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N4O/c1-5-6-12-17-13(15)10(4)14(18-12)16-11(7-8-19)9(2)3/h9,11,19H,5-8H2,1-4H3,(H3,15,16,17,18).
What are the key properties of 3-[(6-amino-5-methyl-2-propylpyrimidin-4-yl)amino]-4-methylpentan-1-ol?
3-[(6-amino-5-methyl-2-propylpyrimidin-4-yl)amino]-4-methylpentan-1-ol has a molecular weight of 266.39 g/mol, XLogP of 2.14, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(6-amino-5-methyl-2-propylpyrimidin-4-yl)amino]-4-methylpentan-1-ol is sourced from PubChem (CID 106358092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).