3-[[[2-propyl-6-(propylamino)pyrimidin-4-yl]amino]methyl]cyclobutan-1-ol

C15H26N4O — CID 80949592

IUPAC3-[[[2-propyl-6-(propylamino)pyrimidin-4-yl]amino]methyl]cyclobutan-1-ol
SMILESCCCNc1cc(NCC2CC(O)C2)nc(CCC)n1
InChIInChI=1S/C15H26N4O/c1-3-5-13-18-14(16-6-4-2)9-15(19-13)17-10-11-7-12(20)8-11/h9,11-12,20H,3-8,10H2,1-2H3,(H2,16,17,18,19)
InChIKeyCBNJHHLXYPFCDQ-UHFFFAOYSA-N
MW278.40 g/mol
LogP2.43
Rot. Bonds8

About 3-[[[2-propyl-6-(propylamino)pyrimidin-4-yl]amino]methyl]cyclobutan-1-ol

3-[[[2-propyl-6-(propylamino)pyrimidin-4-yl]amino]methyl]cyclobutan-1-ol (PubChem CID 80949592) has the molecular formula C15H26N4O and a molecular weight of 278.40 g/mol. Its IUPAC name is 3-[[[2-propyl-6-(propylamino)pyrimidin-4-yl]amino]methyl]cyclobutan-1-ol.

Molecular Properties

Compound Name3-[[[2-propyl-6-(propylamino)pyrimidin-4-yl]amino]methyl]cyclobutan-1-ol
PubChem CID80949592
Molecular FormulaC15H26N4O
Molecular Weight278.40 g/mol
Exact Mass278.21
IUPAC Name3-[[[2-propyl-6-(propylamino)pyrimidin-4-yl]amino]methyl]cyclobutan-1-ol
SMILESCCCNc1cc(NCC2CC(O)C2)nc(CCC)n1
InChIInChI=1S/C15H26N4O/c1-3-5-13-18-14(16-6-4-2)9-15(19-13)17-10-11-7-12(20)8-11/h9,11-12,20H,3-8,10H2,1-2H3,(H2,16,17,18,19)
InChIKeyCBNJHHLXYPFCDQ-UHFFFAOYSA-N
XLogP2.43
TPSA70.07 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.40
LogP ≤ 52.43
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 3-[[[2-propyl-6-(propylamino)pyrimidin-4-yl]amino]methyl]cyclobutan-1-ol with MolForge

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Related Compounds

3-[[[2-cyclopropyl-6-(propylamino)pyrimidin-4-yl]amino]methyl]cyclobutan-1-ol
CID 80959366
3-[[methyl-[2-propyl-6-(propylamino)pyrimidin-4-yl]amino]methyl]cyclobutan-1-ol
CID 80943445
4-[[2-propyl-6-(propylamino)pyrimidin-4-yl]amino]cyclohexan-1-ol
CID 80940576
3-[[[2-(methoxymethyl)-6-(propylamino)pyrimidin-4-yl]amino]methyl]cyclopentan-1-ol
CID 106137939
3-[[[2-cyclopropyl-6-(ethylamino)pyrimidin-4-yl]amino]methyl]cyclobutan-1-ol
CID 80960076
3-[[[2-tert-butyl-6-(ethylamino)pyrimidin-4-yl]amino]methyl]cyclobutan-1-ol
CID 80959795
6-N-methyl-4-N,2-dipropylpyrimidine-4,6-diamine
CID 80946214
4-N-butyl-6-N,2-dipropylpyrimidine-4,6-diamine
CID 80946225
4-N-(cyclopentylmethyl)-2-ethyl-6-N-propylpyrimidine-4,6-diamine
CID 80933194
4-[[[2-amino-6-(propylamino)pyrimidin-4-yl]amino]methyl]cyclohexan-1-ol
CID 106138505
5-[[[2-propyl-6-(propylamino)pyrimidin-4-yl]amino]methyl]pyrrolidin-2-one
CID 80942891
2-ethyl-4-N-[(4-methylcyclohexyl)methyl]-6-N-propylpyrimidine-4,6-diamine
CID 80940788

Frequently Asked Questions

What is the IUPAC name of 3-[[[2-propyl-6-(propylamino)pyrimidin-4-yl]amino]methyl]cyclobutan-1-ol?
The IUPAC name of 3-[[[2-propyl-6-(propylamino)pyrimidin-4-yl]amino]methyl]cyclobutan-1-ol (CID 80949592) is 3-[[[2-propyl-6-(propylamino)pyrimidin-4-yl]amino]methyl]cyclobutan-1-ol.
What is the SMILES notation for 3-[[[2-propyl-6-(propylamino)pyrimidin-4-yl]amino]methyl]cyclobutan-1-ol?
The canonical SMILES for 3-[[[2-propyl-6-(propylamino)pyrimidin-4-yl]amino]methyl]cyclobutan-1-ol is CCCNc1cc(NCC2CC(O)C2)nc(CCC)n1.
What is the InChIKey of 3-[[[2-propyl-6-(propylamino)pyrimidin-4-yl]amino]methyl]cyclobutan-1-ol?
The InChIKey is CBNJHHLXYPFCDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N4O/c1-3-5-13-18-14(16-6-4-2)9-15(19-13)17-10-11-7-12(20)8-11/h9,11-12,20H,3-8,10H2,1-2H3,(H2,16,17,18,19).
What are the key properties of 3-[[[2-propyl-6-(propylamino)pyrimidin-4-yl]amino]methyl]cyclobutan-1-ol?
3-[[[2-propyl-6-(propylamino)pyrimidin-4-yl]amino]methyl]cyclobutan-1-ol has a molecular weight of 278.40 g/mol, XLogP of 2.43, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[[2-propyl-6-(propylamino)pyrimidin-4-yl]amino]methyl]cyclobutan-1-ol is sourced from PubChem (CID 80949592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).