4-[[[2-amino-6-(propylamino)pyrimidin-4-yl]amino]methyl]cyclohexan-1-ol

C14H25N5O — CID 106138505

IUPAC4-[[[2-amino-6-(propylamino)pyrimidin-4-yl]amino]methyl]cyclohexan-1-ol
SMILESCCCNc1cc(NCC2CCC(O)CC2)nc(N)n1
InChIInChI=1S/C14H25N5O/c1-2-7-16-12-8-13(19-14(15)18-12)17-9-10-3-5-11(20)6-4-10/h8,10-11,20H,2-7,9H2,1H3,(H4,15,16,17,18,19)
InChIKeyHDSTUEVYTNRXGX-UHFFFAOYSA-N
MW279.39 g/mol
LogP1.84
Rot. Bonds6

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

4-[[[2-amino-6-(propylamino)pyrimidin-4-yl]amino]methyl]cyclohexan-1-ol (PubChem CID 106138505) has the molecular formula C14H25N5O and a molecular weight of 279.39 g/mol. Its IUPAC name is 4-[[[2-amino-6-(propylamino)pyrimidin-4-yl]amino]methyl]cyclohexan-1-ol.

Molecular Properties

Compound Name4-[[[2-amino-6-(propylamino)pyrimidin-4-yl]amino]methyl]cyclohexan-1-ol
PubChem CID106138505
Molecular FormulaC14H25N5O
Molecular Weight279.39 g/mol
Exact Mass279.21
IUPAC Name4-[[[2-amino-6-(propylamino)pyrimidin-4-yl]amino]methyl]cyclohexan-1-ol
SMILESCCCNc1cc(NCC2CCC(O)CC2)nc(N)n1
InChIInChI=1S/C14H25N5O/c1-2-7-16-12-8-13(19-14(15)18-12)17-9-10-3-5-11(20)6-4-10/h8,10-11,20H,2-7,9H2,1H3,(H4,15,16,17,18,19)
InChIKeyHDSTUEVYTNRXGX-UHFFFAOYSA-N
XLogP1.84
TPSA96.09 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.39
LogP ≤ 51.84
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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

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Related Compounds

4-N-(cyclopropylmethyl)-6-N-[2-(dimethylamino)ethyl]pyrimidine-2,4,6-triamine
CID 90909451
3-[[[2-(methoxymethyl)-6-(propylamino)pyrimidin-4-yl]amino]methyl]cyclopentan-1-ol
CID 106137939
3-[[2-amino-6-(propylamino)pyrimidin-4-yl]amino]cyclobutan-1-ol
CID 80856635
3-[[[2-cyclopropyl-6-(propylamino)pyrimidin-4-yl]amino]methyl]cyclobutan-1-ol
CID 80959366
4-[[[2-cyclopropyl-6-(ethylamino)pyrimidin-4-yl]amino]methyl]cyclohexan-1-ol
CID 106138643
2-ethyl-4-N-[(4-methylcyclohexyl)methyl]-6-N-propylpyrimidine-4,6-diamine
CID 80940788
4-[[(6-hydrazinyl-2-methylpyrimidin-4-yl)amino]methyl]cyclohexan-1-ol
CID 106138816
6-N-propyl-4-N-(4-propylcyclohexyl)pyrimidine-2,4,6-triamine
CID 80782611
4-N-(cyclohexylmethyl)-6-N-ethylpyrimidine-2,4,6-triamine
CID 80783942
4-N-(cyclopentylmethyl)-2-ethyl-6-N-propylpyrimidine-4,6-diamine
CID 80933194
6-methyl-4-N-[(4-methylcyclohexyl)methyl]pyrimidine-2,4-diamine
CID 78969897
3-[[[2-propyl-6-(propylamino)pyrimidin-4-yl]amino]methyl]cyclobutan-1-ol
CID 80949592

Frequently Asked Questions

What is the IUPAC name of 4-[[[2-amino-6-(propylamino)pyrimidin-4-yl]amino]methyl]cyclohexan-1-ol?
The IUPAC name of 4-[[[2-amino-6-(propylamino)pyrimidin-4-yl]amino]methyl]cyclohexan-1-ol (CID 106138505) is 4-[[[2-amino-6-(propylamino)pyrimidin-4-yl]amino]methyl]cyclohexan-1-ol.
What is the SMILES notation for 4-[[[2-amino-6-(propylamino)pyrimidin-4-yl]amino]methyl]cyclohexan-1-ol?
The canonical SMILES for 4-[[[2-amino-6-(propylamino)pyrimidin-4-yl]amino]methyl]cyclohexan-1-ol is CCCNc1cc(NCC2CCC(O)CC2)nc(N)n1.
What is the InChIKey of 4-[[[2-amino-6-(propylamino)pyrimidin-4-yl]amino]methyl]cyclohexan-1-ol?
The InChIKey is HDSTUEVYTNRXGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N5O/c1-2-7-16-12-8-13(19-14(15)18-12)17-9-10-3-5-11(20)6-4-10/h8,10-11,20H,2-7,9H2,1H3,(H4,15,16,17,18,19).
What are the key properties of 4-[[[2-amino-6-(propylamino)pyrimidin-4-yl]amino]methyl]cyclohexan-1-ol?
4-[[[2-amino-6-(propylamino)pyrimidin-4-yl]amino]methyl]cyclohexan-1-ol has a molecular weight of 279.39 g/mol, XLogP of 1.84, 6 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[[2-amino-6-(propylamino)pyrimidin-4-yl]amino]methyl]cyclohexan-1-ol is sourced from PubChem (CID 106138505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).