N-[2-(2-methoxyphenyl)propyl]-6-[6-[methyl-(1-methylpiperidin-4-yl)amino]-3-pyridinyl]pyrimidin-4-amine

C26H34N6O — CID 123421438

IUPACN-[2-(2-methoxyphenyl)propyl]-6-[6-[methyl-(1-methylpiperidin-4-yl)amino]-3-pyridinyl]pyrimidin-4-amine
SMILESCOc1ccccc1C(C)CNc1cc(-c2ccc(N(C)C3CCN(C)CC3)nc2)ncn1
InChIInChI=1S/C26H34N6O/c1-19(22-7-5-6-8-24(22)33-4)16-27-25-15-23(29-18-30-25)20-9-10-26(28-17-20)32(3)21-11-13-31(2)14-12-21/h5-10,15,17-19,21H,11-14,16H2,1-4H3,(H,27,29,30)
InChIKeyDSRHPEVMXNFUPM-UHFFFAOYSA-N
MW446.60 g/mol
LogP4.29
Rot. Bonds8

About N-[2-(2-methoxyphenyl)propyl]-6-[6-[methyl-(1-methylpiperidin-4-yl)amino]-3-pyridinyl]pyrimidin-4-amine

N-[2-(2-methoxyphenyl)propyl]-6-[6-[methyl-(1-methylpiperidin-4-yl)amino]-3-pyridinyl]pyrimidin-4-amine (PubChem CID 123421438) has the molecular formula C26H34N6O and a molecular weight of 446.60 g/mol. Its IUPAC name is N-[2-(2-methoxyphenyl)propyl]-6-[6-[methyl-(1-methylpiperidin-4-yl)amino]-3-pyridinyl]pyrimidin-4-amine.

Molecular Properties

Compound NameN-[2-(2-methoxyphenyl)propyl]-6-[6-[methyl-(1-methylpiperidin-4-yl)amino]-3-pyridinyl]pyrimidin-4-amine
PubChem CID123421438
Molecular FormulaC26H34N6O
Molecular Weight446.60 g/mol
Exact Mass446.28
IUPAC NameN-[2-(2-methoxyphenyl)propyl]-6-[6-[methyl-(1-methylpiperidin-4-yl)amino]-3-pyridinyl]pyrimidin-4-amine
SMILESCOc1ccccc1C(C)CNc1cc(-c2ccc(N(C)C3CCN(C)CC3)nc2)ncn1
InChIInChI=1S/C26H34N6O/c1-19(22-7-5-6-8-24(22)33-4)16-27-25-15-23(29-18-30-25)20-9-10-26(28-17-20)32(3)21-11-13-31(2)14-12-21/h5-10,15,17-19,21H,11-14,16H2,1-4H3,(H,27,29,30)
InChIKeyDSRHPEVMXNFUPM-UHFFFAOYSA-N
XLogP4.29
TPSA66.41 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.60
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[2-(2-methoxyphenyl)propyl]-6-[6-[methyl-(1-methylpiperidin-4-yl)amino]-3-pyridinyl]pyrimidin-4-amine?
The IUPAC name of N-[2-(2-methoxyphenyl)propyl]-6-[6-[methyl-(1-methylpiperidin-4-yl)amino]-3-pyridinyl]pyrimidin-4-amine (CID 123421438) is N-[2-(2-methoxyphenyl)propyl]-6-[6-[methyl-(1-methylpiperidin-4-yl)amino]-3-pyridinyl]pyrimidin-4-amine.
What is the SMILES notation for N-[2-(2-methoxyphenyl)propyl]-6-[6-[methyl-(1-methylpiperidin-4-yl)amino]-3-pyridinyl]pyrimidin-4-amine?
The canonical SMILES for N-[2-(2-methoxyphenyl)propyl]-6-[6-[methyl-(1-methylpiperidin-4-yl)amino]-3-pyridinyl]pyrimidin-4-amine is COc1ccccc1C(C)CNc1cc(-c2ccc(N(C)C3CCN(C)CC3)nc2)ncn1.
What is the InChIKey of N-[2-(2-methoxyphenyl)propyl]-6-[6-[methyl-(1-methylpiperidin-4-yl)amino]-3-pyridinyl]pyrimidin-4-amine?
The InChIKey is DSRHPEVMXNFUPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H34N6O/c1-19(22-7-5-6-8-24(22)33-4)16-27-25-15-23(29-18-30-25)20-9-10-26(28-17-20)32(3)21-11-13-31(2)14-12-21/h5-10,15,17-19,21H,11-14,16H2,1-4H3,(H,27,29,30).
What are the key properties of N-[2-(2-methoxyphenyl)propyl]-6-[6-[methyl-(1-methylpiperidin-4-yl)amino]-3-pyridinyl]pyrimidin-4-amine?
N-[2-(2-methoxyphenyl)propyl]-6-[6-[methyl-(1-methylpiperidin-4-yl)amino]-3-pyridinyl]pyrimidin-4-amine has a molecular weight of 446.60 g/mol, XLogP of 4.29, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-methoxyphenyl)propyl]-6-[6-[methyl-(1-methylpiperidin-4-yl)amino]-3-pyridinyl]pyrimidin-4-amine is sourced from PubChem (CID 123421438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).