N-[[4-(aminomethyl)-2,6-dimethylphenyl]methyl]-6-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methoxy]pyrimidin-4-amine

C25H28N6O — CID 165131140

IUPACN-[[4-(aminomethyl)-2,6-dimethylphenyl]methyl]-6-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methoxy]pyrimidin-4-amine
SMILESCc1cc(CN)cc(C)c1CNc1cc(OCc2cn3cc(C4CC4)ccc3n2)ncn1
InChIInChI=1S/C25H28N6O/c1-16-7-18(10-26)8-17(2)22(16)11-27-23-9-25(29-15-28-23)32-14-21-13-31-12-20(19-3-4-19)5-6-24(31)30-21/h5-9,12-13,15,19H,3-4,10-11,14,26H2,1-2H3,(H,27,28,29)
InChIKeySGUFBBQOEPKGMV-UHFFFAOYSA-N
MW428.54 g/mol
LogP4.27
Rot. Bonds8

About N-[[4-(aminomethyl)-2,6-dimethylphenyl]methyl]-6-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methoxy]pyrimidin-4-amine

N-[[4-(aminomethyl)-2,6-dimethylphenyl]methyl]-6-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methoxy]pyrimidin-4-amine (PubChem CID 165131140) has the molecular formula C25H28N6O and a molecular weight of 428.54 g/mol. Its IUPAC name is N-[[4-(aminomethyl)-2,6-dimethylphenyl]methyl]-6-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methoxy]pyrimidin-4-amine.

Molecular Properties

Compound NameN-[[4-(aminomethyl)-2,6-dimethylphenyl]methyl]-6-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methoxy]pyrimidin-4-amine
PubChem CID165131140
Molecular FormulaC25H28N6O
Molecular Weight428.54 g/mol
Exact Mass428.23
IUPAC NameN-[[4-(aminomethyl)-2,6-dimethylphenyl]methyl]-6-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methoxy]pyrimidin-4-amine
SMILESCc1cc(CN)cc(C)c1CNc1cc(OCc2cn3cc(C4CC4)ccc3n2)ncn1
InChIInChI=1S/C25H28N6O/c1-16-7-18(10-26)8-17(2)22(16)11-27-23-9-25(29-15-28-23)32-14-21-13-31-12-20(19-3-4-19)5-6-24(31)30-21/h5-9,12-13,15,19H,3-4,10-11,14,26H2,1-2H3,(H,27,28,29)
InChIKeySGUFBBQOEPKGMV-UHFFFAOYSA-N
XLogP4.27
TPSA90.36 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.54
LogP ≤ 54.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[[4-(aminomethyl)-2,6-dimethylphenyl]methyl]-6-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methoxy]pyrimidin-4-amine?
The IUPAC name of N-[[4-(aminomethyl)-2,6-dimethylphenyl]methyl]-6-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methoxy]pyrimidin-4-amine (CID 165131140) is N-[[4-(aminomethyl)-2,6-dimethylphenyl]methyl]-6-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methoxy]pyrimidin-4-amine.
What is the SMILES notation for N-[[4-(aminomethyl)-2,6-dimethylphenyl]methyl]-6-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methoxy]pyrimidin-4-amine?
The canonical SMILES for N-[[4-(aminomethyl)-2,6-dimethylphenyl]methyl]-6-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methoxy]pyrimidin-4-amine is Cc1cc(CN)cc(C)c1CNc1cc(OCc2cn3cc(C4CC4)ccc3n2)ncn1.
What is the InChIKey of N-[[4-(aminomethyl)-2,6-dimethylphenyl]methyl]-6-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methoxy]pyrimidin-4-amine?
The InChIKey is SGUFBBQOEPKGMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N6O/c1-16-7-18(10-26)8-17(2)22(16)11-27-23-9-25(29-15-28-23)32-14-21-13-31-12-20(19-3-4-19)5-6-24(31)30-21/h5-9,12-13,15,19H,3-4,10-11,14,26H2,1-2H3,(H,27,28,29).
What are the key properties of N-[[4-(aminomethyl)-2,6-dimethylphenyl]methyl]-6-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methoxy]pyrimidin-4-amine?
N-[[4-(aminomethyl)-2,6-dimethylphenyl]methyl]-6-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methoxy]pyrimidin-4-amine has a molecular weight of 428.54 g/mol, XLogP of 4.27, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(aminomethyl)-2,6-dimethylphenyl]methyl]-6-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methoxy]pyrimidin-4-amine is sourced from PubChem (CID 165131140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).