[1-[[2-amino-6-(propylamino)pyrimidin-4-yl]amino]-4-methylcyclohexyl]methanol

C15H27N5O — CID 80803602

IUPAC[1-[[2-amino-6-(propylamino)pyrimidin-4-yl]amino]-4-methylcyclohexyl]methanol
SMILESCCCNc1cc(NC2(CO)CCC(C)CC2)nc(N)n1
InChIInChI=1S/C15H27N5O/c1-3-8-17-12-9-13(19-14(16)18-12)20-15(10-21)6-4-11(2)5-7-15/h9,11,21H,3-8,10H2,1-2H3,(H4,16,17,18,19,20)
InChIKeyPZXRNTKGFDDTBG-UHFFFAOYSA-N
MW293.42 g/mol
LogP2.23
Rot. Bonds6

About [1-[[2-amino-6-(propylamino)pyrimidin-4-yl]amino]-4-methylcyclohexyl]methanol

[1-[[2-amino-6-(propylamino)pyrimidin-4-yl]amino]-4-methylcyclohexyl]methanol (PubChem CID 80803602) has the molecular formula C15H27N5O and a molecular weight of 293.42 g/mol. Its IUPAC name is [1-[[2-amino-6-(propylamino)pyrimidin-4-yl]amino]-4-methylcyclohexyl]methanol.

Molecular Properties

Compound Name[1-[[2-amino-6-(propylamino)pyrimidin-4-yl]amino]-4-methylcyclohexyl]methanol
PubChem CID80803602
Molecular FormulaC15H27N5O
Molecular Weight293.42 g/mol
Exact Mass293.22
IUPAC Name[1-[[2-amino-6-(propylamino)pyrimidin-4-yl]amino]-4-methylcyclohexyl]methanol
SMILESCCCNc1cc(NC2(CO)CCC(C)CC2)nc(N)n1
InChIInChI=1S/C15H27N5O/c1-3-8-17-12-9-13(19-14(16)18-12)20-15(10-21)6-4-11(2)5-7-15/h9,11,21H,3-8,10H2,1-2H3,(H4,16,17,18,19,20)
InChIKeyPZXRNTKGFDDTBG-UHFFFAOYSA-N
XLogP2.23
TPSA96.09 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.42
LogP ≤ 52.23
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Related Compounds

[1-[[2-ethyl-6-(ethylamino)pyrimidin-4-yl]amino]-4-methylcyclohexyl]methanol
CID 80940619
[1-[[6-(ethylamino)pyrazin-2-yl]amino]-4-methylcyclohexyl]methanol
CID 80832803
[1-[(6-chloro-2-cyclopropylpyrimidin-4-yl)amino]-4-methylcyclohexyl]methanol
CID 80951495
4-[[[2-amino-6-(propylamino)pyrimidin-4-yl]amino]methyl]cyclohexan-1-ol
CID 106138505
6-N-methyl-4-N-propylpyrimidine-2,4,6-triamine
CID 80766256
4-N-cyclohexyl-6-N-propylpyrimidine-2,4,6-triamine
CID 80765080
[1-[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]amino]-4-methylcyclohexyl]methanol
CID 80833108
3-[[2-amino-6-(propylamino)pyrimidin-4-yl]amino]cyclobutan-1-ol
CID 80856635
[4-methyl-1-[(6-methylpyrimidin-4-yl)amino]cyclohexyl]methanol
CID 62525504
[1-[(6-amino-2-methyl-1,3-benzothiazol-5-yl)amino]-4-methylcyclohexyl]methanol
CID 62552477
[1-[[2-chloro-6-(trifluoromethyl)pyrimidin-4-yl]amino]-4-methylcyclohexyl]methanol
CID 114562559
3-[[2-amino-6-(propylamino)pyrimidin-4-yl]amino]piperidine-2,6-dione
CID 80855840

Frequently Asked Questions

What is the IUPAC name of [1-[[2-amino-6-(propylamino)pyrimidin-4-yl]amino]-4-methylcyclohexyl]methanol?
The IUPAC name of [1-[[2-amino-6-(propylamino)pyrimidin-4-yl]amino]-4-methylcyclohexyl]methanol (CID 80803602) is [1-[[2-amino-6-(propylamino)pyrimidin-4-yl]amino]-4-methylcyclohexyl]methanol.
What is the SMILES notation for [1-[[2-amino-6-(propylamino)pyrimidin-4-yl]amino]-4-methylcyclohexyl]methanol?
The canonical SMILES for [1-[[2-amino-6-(propylamino)pyrimidin-4-yl]amino]-4-methylcyclohexyl]methanol is CCCNc1cc(NC2(CO)CCC(C)CC2)nc(N)n1.
What is the InChIKey of [1-[[2-amino-6-(propylamino)pyrimidin-4-yl]amino]-4-methylcyclohexyl]methanol?
The InChIKey is PZXRNTKGFDDTBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N5O/c1-3-8-17-12-9-13(19-14(16)18-12)20-15(10-21)6-4-11(2)5-7-15/h9,11,21H,3-8,10H2,1-2H3,(H4,16,17,18,19,20).
What are the key properties of [1-[[2-amino-6-(propylamino)pyrimidin-4-yl]amino]-4-methylcyclohexyl]methanol?
[1-[[2-amino-6-(propylamino)pyrimidin-4-yl]amino]-4-methylcyclohexyl]methanol has a molecular weight of 293.42 g/mol, XLogP of 2.23, 6 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[[2-amino-6-(propylamino)pyrimidin-4-yl]amino]-4-methylcyclohexyl]methanol is sourced from PubChem (CID 80803602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).