4-[(4-aminocyclohexyl)methoxy]-N-(1-methylpyrazol-3-yl)pyrimidin-2-amine

C15H22N6O — CID 165385508

IUPAC4-[(4-aminocyclohexyl)methoxy]-N-(1-methylpyrazol-3-yl)pyrimidin-2-amine
SMILESCn1ccc(Nc2nccc(OCC3CCC(N)CC3)n2)n1
InChIInChI=1S/C15H22N6O/c1-21-9-7-13(20-21)18-15-17-8-6-14(19-15)22-10-11-2-4-12(16)5-3-11/h6-9,11-12H,2-5,10,16H2,1H3,(H,17,18,19,20)
InChIKeyXMUBKHGMCYFSQJ-UHFFFAOYSA-N
MW302.38 g/mol
LogP1.85
Rot. Bonds5

About 4-[(4-aminocyclohexyl)methoxy]-N-(1-methylpyrazol-3-yl)pyrimidin-2-amine

4-[(4-aminocyclohexyl)methoxy]-N-(1-methylpyrazol-3-yl)pyrimidin-2-amine (PubChem CID 165385508) has the molecular formula C15H22N6O and a molecular weight of 302.38 g/mol. Its IUPAC name is 4-[(4-aminocyclohexyl)methoxy]-N-(1-methylpyrazol-3-yl)pyrimidin-2-amine.

Molecular Properties

Compound Name4-[(4-aminocyclohexyl)methoxy]-N-(1-methylpyrazol-3-yl)pyrimidin-2-amine
PubChem CID165385508
Molecular FormulaC15H22N6O
Molecular Weight302.38 g/mol
Exact Mass302.19
IUPAC Name4-[(4-aminocyclohexyl)methoxy]-N-(1-methylpyrazol-3-yl)pyrimidin-2-amine
SMILESCn1ccc(Nc2nccc(OCC3CCC(N)CC3)n2)n1
InChIInChI=1S/C15H22N6O/c1-21-9-7-13(20-21)18-15-17-8-6-14(19-15)22-10-11-2-4-12(16)5-3-11/h6-9,11-12H,2-5,10,16H2,1H3,(H,17,18,19,20)
InChIKeyXMUBKHGMCYFSQJ-UHFFFAOYSA-N
XLogP1.85
TPSA90.88 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.38
LogP ≤ 51.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-[(4-aminocyclohexyl)methoxy]-N-(1-methylpyrazol-3-yl)pyrimidin-2-amine?
The IUPAC name of 4-[(4-aminocyclohexyl)methoxy]-N-(1-methylpyrazol-3-yl)pyrimidin-2-amine (CID 165385508) is 4-[(4-aminocyclohexyl)methoxy]-N-(1-methylpyrazol-3-yl)pyrimidin-2-amine.
What is the SMILES notation for 4-[(4-aminocyclohexyl)methoxy]-N-(1-methylpyrazol-3-yl)pyrimidin-2-amine?
The canonical SMILES for 4-[(4-aminocyclohexyl)methoxy]-N-(1-methylpyrazol-3-yl)pyrimidin-2-amine is Cn1ccc(Nc2nccc(OCC3CCC(N)CC3)n2)n1.
What is the InChIKey of 4-[(4-aminocyclohexyl)methoxy]-N-(1-methylpyrazol-3-yl)pyrimidin-2-amine?
The InChIKey is XMUBKHGMCYFSQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N6O/c1-21-9-7-13(20-21)18-15-17-8-6-14(19-15)22-10-11-2-4-12(16)5-3-11/h6-9,11-12H,2-5,10,16H2,1H3,(H,17,18,19,20).
What are the key properties of 4-[(4-aminocyclohexyl)methoxy]-N-(1-methylpyrazol-3-yl)pyrimidin-2-amine?
4-[(4-aminocyclohexyl)methoxy]-N-(1-methylpyrazol-3-yl)pyrimidin-2-amine has a molecular weight of 302.38 g/mol, XLogP of 1.85, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-aminocyclohexyl)methoxy]-N-(1-methylpyrazol-3-yl)pyrimidin-2-amine is sourced from PubChem (CID 165385508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).