[1-[[(6-amino-5-propan-2-ylpyrimidin-4-yl)amino]methyl]cyclohexyl]methanol

C15H26N4O — CID 103968693

IUPAC[1-[[(6-amino-5-propan-2-ylpyrimidin-4-yl)amino]methyl]cyclohexyl]methanol
SMILESCC(C)c1c(N)ncnc1NCC1(CO)CCCCC1
InChIInChI=1S/C15H26N4O/c1-11(2)12-13(16)18-10-19-14(12)17-8-15(9-20)6-4-3-5-7-15/h10-11,20H,3-9H2,1-2H3,(H3,16,17,18,19)
InChIKeyTYGREXHBIWFNSH-UHFFFAOYSA-N
MW278.40 g/mol
LogP2.54
Rot. Bonds5

About [1-[[(6-amino-5-propan-2-ylpyrimidin-4-yl)amino]methyl]cyclohexyl]methanol

[1-[[(6-amino-5-propan-2-ylpyrimidin-4-yl)amino]methyl]cyclohexyl]methanol (PubChem CID 103968693) has the molecular formula C15H26N4O and a molecular weight of 278.40 g/mol. Its IUPAC name is [1-[[(6-amino-5-propan-2-ylpyrimidin-4-yl)amino]methyl]cyclohexyl]methanol.

Molecular Properties

Compound Name[1-[[(6-amino-5-propan-2-ylpyrimidin-4-yl)amino]methyl]cyclohexyl]methanol
PubChem CID103968693
Molecular FormulaC15H26N4O
Molecular Weight278.40 g/mol
Exact Mass278.21
IUPAC Name[1-[[(6-amino-5-propan-2-ylpyrimidin-4-yl)amino]methyl]cyclohexyl]methanol
SMILESCC(C)c1c(N)ncnc1NCC1(CO)CCCCC1
InChIInChI=1S/C15H26N4O/c1-11(2)12-13(16)18-10-19-14(12)17-8-15(9-20)6-4-3-5-7-15/h10-11,20H,3-9H2,1-2H3,(H3,16,17,18,19)
InChIKeyTYGREXHBIWFNSH-UHFFFAOYSA-N
XLogP2.54
TPSA84.06 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.40
LogP ≤ 52.54
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze [1-[[(6-amino-5-propan-2-ylpyrimidin-4-yl)amino]methyl]cyclohexyl]methanol with MolForge

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Related Compounds

[1-[[(6-amino-5-propylpyrimidin-4-yl)amino]methyl]cyclohexyl]methanol
CID 103968751
4-N-(2-piperidin-1-ylpropyl)-5-propan-2-ylpyrimidine-4,6-diamine
CID 80814271
4-N-ethyl-5-propan-2-ylpyrimidine-4,6-diamine
CID 80770662
[1-[[[6-(ethylamino)-5-propylpyrimidin-4-yl]amino]methyl]cyclopentyl]methanol
CID 115366342
[1-[(5,6,7,8-tetrahydroquinazolin-4-ylamino)methyl]cyclopentyl]methanol
CID 115360733
5-ethyl-4-N-[[1-(2-methylpropyl)cyclopentyl]methyl]pyrimidine-4,6-diamine
CID 80854553
[1-[[(6-aminopyrimidin-4-yl)amino]methyl]cyclohexyl]methanol
CID 113359835
[1-[[(2-amino-5-methylpyrimidin-4-yl)amino]methyl]cyclohexyl]methanol
CID 103968719
5-chloro-4-N-[(1-ethylcyclopentyl)methyl]pyrimidine-4,6-diamine
CID 106812270
[1-[[(6-hydrazinyl-5-nitropyrimidin-4-yl)amino]methyl]cyclohexyl]methanol
CID 103968805
4-N,5-di(propan-2-yl)pyrimidine-4,6-diamine
CID 80765801
4-N-(3-methyl-2-propan-2-ylbutyl)-5-propan-2-ylpyrimidine-4,6-diamine
CID 102908901

Frequently Asked Questions

What is the IUPAC name of [1-[[(6-amino-5-propan-2-ylpyrimidin-4-yl)amino]methyl]cyclohexyl]methanol?
The IUPAC name of [1-[[(6-amino-5-propan-2-ylpyrimidin-4-yl)amino]methyl]cyclohexyl]methanol (CID 103968693) is [1-[[(6-amino-5-propan-2-ylpyrimidin-4-yl)amino]methyl]cyclohexyl]methanol.
What is the SMILES notation for [1-[[(6-amino-5-propan-2-ylpyrimidin-4-yl)amino]methyl]cyclohexyl]methanol?
The canonical SMILES for [1-[[(6-amino-5-propan-2-ylpyrimidin-4-yl)amino]methyl]cyclohexyl]methanol is CC(C)c1c(N)ncnc1NCC1(CO)CCCCC1.
What is the InChIKey of [1-[[(6-amino-5-propan-2-ylpyrimidin-4-yl)amino]methyl]cyclohexyl]methanol?
The InChIKey is TYGREXHBIWFNSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N4O/c1-11(2)12-13(16)18-10-19-14(12)17-8-15(9-20)6-4-3-5-7-15/h10-11,20H,3-9H2,1-2H3,(H3,16,17,18,19).
What are the key properties of [1-[[(6-amino-5-propan-2-ylpyrimidin-4-yl)amino]methyl]cyclohexyl]methanol?
[1-[[(6-amino-5-propan-2-ylpyrimidin-4-yl)amino]methyl]cyclohexyl]methanol has a molecular weight of 278.40 g/mol, XLogP of 2.54, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[[(6-amino-5-propan-2-ylpyrimidin-4-yl)amino]methyl]cyclohexyl]methanol is sourced from PubChem (CID 103968693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).