2-N-(4-aminocyclohexyl)-6-[5-(cyclopropylmethyl)-1-methylpyrazol-4-yl]pyrimidine-2,4-diamine

C18H27N7 — CID 135301368

IUPAC2-N-(4-aminocyclohexyl)-6-[5-(cyclopropylmethyl)-1-methylpyrazol-4-yl]pyrimidine-2,4-diamine
SMILESCn1ncc(-c2cc(N)nc(NC3CCC(N)CC3)n2)c1CC1CC1
InChIInChI=1S/C18H27N7/c1-25-16(8-11-2-3-11)14(10-21-25)15-9-17(20)24-18(23-15)22-13-6-4-12(19)5-7-13/h9-13H,2-8,19H2,1H3,(H3,20,22,23,24)
InChIKeyLDYDXXYPCLELJH-UHFFFAOYSA-N
MW341.46 g/mol
LogP2.09
Rot. Bonds5

About 2-N-(4-aminocyclohexyl)-6-[5-(cyclopropylmethyl)-1-methylpyrazol-4-yl]pyrimidine-2,4-diamine

2-N-(4-aminocyclohexyl)-6-[5-(cyclopropylmethyl)-1-methylpyrazol-4-yl]pyrimidine-2,4-diamine (PubChem CID 135301368) has the molecular formula C18H27N7 and a molecular weight of 341.46 g/mol. Its IUPAC name is 2-N-(4-aminocyclohexyl)-6-[5-(cyclopropylmethyl)-1-methylpyrazol-4-yl]pyrimidine-2,4-diamine.

Molecular Properties

Compound Name2-N-(4-aminocyclohexyl)-6-[5-(cyclopropylmethyl)-1-methylpyrazol-4-yl]pyrimidine-2,4-diamine
PubChem CID135301368
Molecular FormulaC18H27N7
Molecular Weight341.46 g/mol
Exact Mass341.23
IUPAC Name2-N-(4-aminocyclohexyl)-6-[5-(cyclopropylmethyl)-1-methylpyrazol-4-yl]pyrimidine-2,4-diamine
SMILESCn1ncc(-c2cc(N)nc(NC3CCC(N)CC3)n2)c1CC1CC1
InChIInChI=1S/C18H27N7/c1-25-16(8-11-2-3-11)14(10-21-25)15-9-17(20)24-18(23-15)22-13-6-4-12(19)5-7-13/h9-13H,2-8,19H2,1H3,(H3,20,22,23,24)
InChIKeyLDYDXXYPCLELJH-UHFFFAOYSA-N
XLogP2.09
TPSA107.67 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.46
LogP ≤ 52.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-N-(4-aminocyclohexyl)-6-[5-(cyclopropylmethyl)-1-methylpyrazol-4-yl]pyrimidine-2,4-diamine?
The IUPAC name of 2-N-(4-aminocyclohexyl)-6-[5-(cyclopropylmethyl)-1-methylpyrazol-4-yl]pyrimidine-2,4-diamine (CID 135301368) is 2-N-(4-aminocyclohexyl)-6-[5-(cyclopropylmethyl)-1-methylpyrazol-4-yl]pyrimidine-2,4-diamine.
What is the SMILES notation for 2-N-(4-aminocyclohexyl)-6-[5-(cyclopropylmethyl)-1-methylpyrazol-4-yl]pyrimidine-2,4-diamine?
The canonical SMILES for 2-N-(4-aminocyclohexyl)-6-[5-(cyclopropylmethyl)-1-methylpyrazol-4-yl]pyrimidine-2,4-diamine is Cn1ncc(-c2cc(N)nc(NC3CCC(N)CC3)n2)c1CC1CC1.
What is the InChIKey of 2-N-(4-aminocyclohexyl)-6-[5-(cyclopropylmethyl)-1-methylpyrazol-4-yl]pyrimidine-2,4-diamine?
The InChIKey is LDYDXXYPCLELJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N7/c1-25-16(8-11-2-3-11)14(10-21-25)15-9-17(20)24-18(23-15)22-13-6-4-12(19)5-7-13/h9-13H,2-8,19H2,1H3,(H3,20,22,23,24).
What are the key properties of 2-N-(4-aminocyclohexyl)-6-[5-(cyclopropylmethyl)-1-methylpyrazol-4-yl]pyrimidine-2,4-diamine?
2-N-(4-aminocyclohexyl)-6-[5-(cyclopropylmethyl)-1-methylpyrazol-4-yl]pyrimidine-2,4-diamine has a molecular weight of 341.46 g/mol, XLogP of 2.09, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(4-aminocyclohexyl)-6-[5-(cyclopropylmethyl)-1-methylpyrazol-4-yl]pyrimidine-2,4-diamine is sourced from PubChem (CID 135301368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).