[1-[[[5-propyl-6-(propylamino)pyrimidin-4-yl]amino]methyl]cyclopropyl]methanol

C15H26N4O — CID 115457178

IUPAC[1-[[[5-propyl-6-(propylamino)pyrimidin-4-yl]amino]methyl]cyclopropyl]methanol
SMILESCCCNc1ncnc(NCC2(CO)CC2)c1CCC
InChIInChI=1S/C15H26N4O/c1-3-5-12-13(16-8-4-2)18-11-19-14(12)17-9-15(10-20)6-7-15/h11,20H,3-10H2,1-2H3,(H2,16,17,18,19)
InChIKeyOVQOQRNXQBIFSJ-UHFFFAOYSA-N
MW278.40 g/mol
LogP2.44
Rot. Bonds9

About [1-[[[5-propyl-6-(propylamino)pyrimidin-4-yl]amino]methyl]cyclopropyl]methanol

[1-[[[5-propyl-6-(propylamino)pyrimidin-4-yl]amino]methyl]cyclopropyl]methanol (PubChem CID 115457178) has the molecular formula C15H26N4O and a molecular weight of 278.40 g/mol. Its IUPAC name is [1-[[[5-propyl-6-(propylamino)pyrimidin-4-yl]amino]methyl]cyclopropyl]methanol.

Molecular Properties

Compound Name[1-[[[5-propyl-6-(propylamino)pyrimidin-4-yl]amino]methyl]cyclopropyl]methanol
PubChem CID115457178
Molecular FormulaC15H26N4O
Molecular Weight278.40 g/mol
Exact Mass278.21
IUPAC Name[1-[[[5-propyl-6-(propylamino)pyrimidin-4-yl]amino]methyl]cyclopropyl]methanol
SMILESCCCNc1ncnc(NCC2(CO)CC2)c1CCC
InChIInChI=1S/C15H26N4O/c1-3-5-12-13(16-8-4-2)18-11-19-14(12)17-9-15(10-20)6-7-15/h11,20H,3-10H2,1-2H3,(H2,16,17,18,19)
InChIKeyOVQOQRNXQBIFSJ-UHFFFAOYSA-N
XLogP2.44
TPSA70.07 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.40
LogP ≤ 52.44
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze [1-[[[5-propyl-6-(propylamino)pyrimidin-4-yl]amino]methyl]cyclopropyl]methanol with MolForge

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Related Compounds

[1-[[[6-(ethylamino)-5-propylpyrimidin-4-yl]amino]methyl]cyclopentyl]methanol
CID 115366342
[1-[[(6-amino-5-propylpyrimidin-4-yl)amino]methyl]cyclohexyl]methanol
CID 103968751
4-N-[(1-ethylcyclopropyl)methyl]-6-N-methyl-5-propylpyrimidine-4,6-diamine
CID 114102516
[1-[[[6-(propylamino)pyrimidin-4-yl]amino]methyl]cyclopropyl]methanol
CID 115457224
2-[[5-propyl-6-(propylamino)pyrimidin-4-yl]amino]cyclohexan-1-ol
CID 80800343
2-methyl-2-[[5-propyl-6-(propylamino)pyrimidin-4-yl]amino]propan-1-ol
CID 80779958
4-N-cyclopentyl-6-N,5-dipropylpyrimidine-4,6-diamine
CID 80770351
4-N-cycloheptyl-6-N,5-dipropylpyrimidine-4,6-diamine
CID 80771825
[1-[[(6-hydrazinyl-5-methylpyrimidin-4-yl)amino]methyl]cyclopropyl]methanol
CID 115457329
2,2-dimethyl-3-[[5-propyl-6-(propylamino)pyrimidin-4-yl]amino]cyclobutan-1-ol
CID 114632953
4-N-(2-methylsulfanylethyl)-6-N,5-dipropylpyrimidine-4,6-diamine
CID 80839637
2-[[5-propyl-6-(propylamino)pyrimidin-4-yl]amino]ethylurea
CID 83117732

Frequently Asked Questions

What is the IUPAC name of [1-[[[5-propyl-6-(propylamino)pyrimidin-4-yl]amino]methyl]cyclopropyl]methanol?
The IUPAC name of [1-[[[5-propyl-6-(propylamino)pyrimidin-4-yl]amino]methyl]cyclopropyl]methanol (CID 115457178) is [1-[[[5-propyl-6-(propylamino)pyrimidin-4-yl]amino]methyl]cyclopropyl]methanol.
What is the SMILES notation for [1-[[[5-propyl-6-(propylamino)pyrimidin-4-yl]amino]methyl]cyclopropyl]methanol?
The canonical SMILES for [1-[[[5-propyl-6-(propylamino)pyrimidin-4-yl]amino]methyl]cyclopropyl]methanol is CCCNc1ncnc(NCC2(CO)CC2)c1CCC.
What is the InChIKey of [1-[[[5-propyl-6-(propylamino)pyrimidin-4-yl]amino]methyl]cyclopropyl]methanol?
The InChIKey is OVQOQRNXQBIFSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N4O/c1-3-5-12-13(16-8-4-2)18-11-19-14(12)17-9-15(10-20)6-7-15/h11,20H,3-10H2,1-2H3,(H2,16,17,18,19).
What are the key properties of [1-[[[5-propyl-6-(propylamino)pyrimidin-4-yl]amino]methyl]cyclopropyl]methanol?
[1-[[[5-propyl-6-(propylamino)pyrimidin-4-yl]amino]methyl]cyclopropyl]methanol has a molecular weight of 278.40 g/mol, XLogP of 2.44, 9 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[[[5-propyl-6-(propylamino)pyrimidin-4-yl]amino]methyl]cyclopropyl]methanol is sourced from PubChem (CID 115457178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).