4-cyclohexyl-1H-pyrimidine-2,4-diamine

C10H18N4 — CID 67412285

IUPAC4-cyclohexyl-1H-pyrimidine-2,4-diamine
SMILESNC1=NC(N)(C2CCCCC2)C=CN1
InChIInChI=1S/C10H18N4/c11-9-13-7-6-10(12,14-9)8-4-2-1-3-5-8/h6-8H,1-5,12H2,(H3,11,13,14)
InChIKeyFBOQEBJGJGWQFG-UHFFFAOYSA-N
MW194.28 g/mol
LogP0.65
Rot. Bonds1

About 4-cyclohexyl-1H-pyrimidine-2,4-diamine

4-cyclohexyl-1H-pyrimidine-2,4-diamine (PubChem CID 67412285) has the molecular formula C10H18N4 and a molecular weight of 194.28 g/mol. Its IUPAC name is 4-cyclohexyl-1H-pyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-cyclohexyl-1H-pyrimidine-2,4-diamine
PubChem CID67412285
Molecular FormulaC10H18N4
Molecular Weight194.28 g/mol
Exact Mass194.15
IUPAC Name4-cyclohexyl-1H-pyrimidine-2,4-diamine
SMILESNC1=NC(N)(C2CCCCC2)C=CN1
InChIInChI=1S/C10H18N4/c11-9-13-7-6-10(12,14-9)8-4-2-1-3-5-8/h6-8H,1-5,12H2,(H3,11,13,14)
InChIKeyFBOQEBJGJGWQFG-UHFFFAOYSA-N
XLogP0.65
TPSA76.43 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.28
LogP ≤ 50.65
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

4-[4-(trifluoromethyl)cyclohexyl]-1H-pyrimidine-2,4-diamine
CID 154355960
4-cyclopentyl-1H-pyrimidine-2,4-diamine
CID 67412227
4-[(2-Bromo-1,4-dihydropyrimidin-4-yl)methyl]cyclohexan-1-amine
CID 70922245
4-(2-methylcyclopropyl)-1H-pyrimidine-2,4-diamine
CID 135331790
4-(2-methylbutyl)-1H-pyrimidine-2,4-diamine
CID 141176041
4-(3-methylbutyl)-1H-pyrimidine-2,4-diamine
CID 143492573
4-(cyclohexylmethyl)-1H-pyrimidine-2,4-diamine
CID 144001151
4-(2-methylpropyl)-1H-pyrimidine-2,4-diamine
CID 144001202
4-cyclohexyl-1H-pyrimidine-4,6-diamine
CID 144213044
4-cyclohexyl-1H-pyrimidine-2,4,5-triamine
CID 144479156
4-piperidin-3-yl-1H-pyrimidine-2,4-diamine
CID 152166767
4-(3-ethylpiperidin-4-yl)-1H-pyrimidine-2,4-diamine
CID 152569151

Frequently Asked Questions

What is the IUPAC name of 4-cyclohexyl-1H-pyrimidine-2,4-diamine?
The IUPAC name of 4-cyclohexyl-1H-pyrimidine-2,4-diamine (CID 67412285) is 4-cyclohexyl-1H-pyrimidine-2,4-diamine.
What is the SMILES notation for 4-cyclohexyl-1H-pyrimidine-2,4-diamine?
The canonical SMILES for 4-cyclohexyl-1H-pyrimidine-2,4-diamine is NC1=NC(N)(C2CCCCC2)C=CN1.
What is the InChIKey of 4-cyclohexyl-1H-pyrimidine-2,4-diamine?
The InChIKey is FBOQEBJGJGWQFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N4/c11-9-13-7-6-10(12,14-9)8-4-2-1-3-5-8/h6-8H,1-5,12H2,(H3,11,13,14).
What are the key properties of 4-cyclohexyl-1H-pyrimidine-2,4-diamine?
4-cyclohexyl-1H-pyrimidine-2,4-diamine has a molecular weight of 194.28 g/mol, XLogP of 0.65, 1 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclohexyl-1H-pyrimidine-2,4-diamine is sourced from PubChem (CID 67412285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).