[4-amino-2-[(4-aminocyclohexyl)amino]pyrimidin-5-yl]-(2-methoxy-5-methylphenyl)methanone

C19H25N5O2 — CID 21070475

IUPAC[4-amino-2-[(4-aminocyclohexyl)amino]pyrimidin-5-yl]-(2-methoxy-5-methylphenyl)methanone
SMILESCOc1ccc(C)cc1C(=O)c1cnc(NC2CCC(N)CC2)nc1N
InChIInChI=1S/C19H25N5O2/c1-11-3-8-16(26-2)14(9-11)17(25)15-10-22-19(24-18(15)21)23-13-6-4-12(20)5-7-13/h3,8-10,12-13H,4-7,20H2,1-2H3,(H3,21,22,23,24)
InChIKeyDWFYFPBSBQDMDR-UHFFFAOYSA-N
MW355.44 g/mol
LogP2.29
Rot. Bonds5

About [4-amino-2-[(4-aminocyclohexyl)amino]pyrimidin-5-yl]-(2-methoxy-5-methylphenyl)methanone

[4-amino-2-[(4-aminocyclohexyl)amino]pyrimidin-5-yl]-(2-methoxy-5-methylphenyl)methanone (PubChem CID 21070475) has the molecular formula C19H25N5O2 and a molecular weight of 355.44 g/mol. Its IUPAC name is [4-amino-2-[(4-aminocyclohexyl)amino]pyrimidin-5-yl]-(2-methoxy-5-methylphenyl)methanone.

Molecular Properties

Compound Name[4-amino-2-[(4-aminocyclohexyl)amino]pyrimidin-5-yl]-(2-methoxy-5-methylphenyl)methanone
PubChem CID21070475
Molecular FormulaC19H25N5O2
Molecular Weight355.44 g/mol
Exact Mass355.20
IUPAC Name[4-amino-2-[(4-aminocyclohexyl)amino]pyrimidin-5-yl]-(2-methoxy-5-methylphenyl)methanone
SMILESCOc1ccc(C)cc1C(=O)c1cnc(NC2CCC(N)CC2)nc1N
InChIInChI=1S/C19H25N5O2/c1-11-3-8-16(26-2)14(9-11)17(25)15-10-22-19(24-18(15)21)23-13-6-4-12(20)5-7-13/h3,8-10,12-13H,4-7,20H2,1-2H3,(H3,21,22,23,24)
InChIKeyDWFYFPBSBQDMDR-UHFFFAOYSA-N
XLogP2.29
TPSA116.15 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.44
LogP ≤ 52.29
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of [4-amino-2-[(4-aminocyclohexyl)amino]pyrimidin-5-yl]-(2-methoxy-5-methylphenyl)methanone?
The IUPAC name of [4-amino-2-[(4-aminocyclohexyl)amino]pyrimidin-5-yl]-(2-methoxy-5-methylphenyl)methanone (CID 21070475) is [4-amino-2-[(4-aminocyclohexyl)amino]pyrimidin-5-yl]-(2-methoxy-5-methylphenyl)methanone.
What is the SMILES notation for [4-amino-2-[(4-aminocyclohexyl)amino]pyrimidin-5-yl]-(2-methoxy-5-methylphenyl)methanone?
The canonical SMILES for [4-amino-2-[(4-aminocyclohexyl)amino]pyrimidin-5-yl]-(2-methoxy-5-methylphenyl)methanone is COc1ccc(C)cc1C(=O)c1cnc(NC2CCC(N)CC2)nc1N.
What is the InChIKey of [4-amino-2-[(4-aminocyclohexyl)amino]pyrimidin-5-yl]-(2-methoxy-5-methylphenyl)methanone?
The InChIKey is DWFYFPBSBQDMDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N5O2/c1-11-3-8-16(26-2)14(9-11)17(25)15-10-22-19(24-18(15)21)23-13-6-4-12(20)5-7-13/h3,8-10,12-13H,4-7,20H2,1-2H3,(H3,21,22,23,24).
What are the key properties of [4-amino-2-[(4-aminocyclohexyl)amino]pyrimidin-5-yl]-(2-methoxy-5-methylphenyl)methanone?
[4-amino-2-[(4-aminocyclohexyl)amino]pyrimidin-5-yl]-(2-methoxy-5-methylphenyl)methanone has a molecular weight of 355.44 g/mol, XLogP of 2.29, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [4-amino-2-[(4-aminocyclohexyl)amino]pyrimidin-5-yl]-(2-methoxy-5-methylphenyl)methanone is sourced from PubChem (CID 21070475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).