N-[6-[1-[(2-methoxy-4-methylphenyl)methyl]piperidin-4-yl]-2-pyridinyl]pyrimidin-2-amine

C23H27N5O — CID 110093978

IUPACN-[6-[1-[(2-methoxy-4-methylphenyl)methyl]piperidin-4-yl]-2-pyridinyl]pyrimidin-2-amine
SMILESCOc1cc(C)ccc1CN1CCC(c2cccc(Nc3ncccn3)n2)CC1
InChIInChI=1S/C23H27N5O/c1-17-7-8-19(21(15-17)29-2)16-28-13-9-18(10-14-28)20-5-3-6-22(26-20)27-23-24-11-4-12-25-23/h3-8,11-12,15,18H,9-10,13-14,16H2,1-2H3,(H,24,25,26,27)
InChIKeyPCPUHFZJDXJOIB-UHFFFAOYSA-N
MW389.50 g/mol
LogP4.31
Rot. Bonds6

About N-[6-[1-[(2-methoxy-4-methylphenyl)methyl]piperidin-4-yl]-2-pyridinyl]pyrimidin-2-amine

N-[6-[1-[(2-methoxy-4-methylphenyl)methyl]piperidin-4-yl]-2-pyridinyl]pyrimidin-2-amine (PubChem CID 110093978) has the molecular formula C23H27N5O and a molecular weight of 389.50 g/mol. Its IUPAC name is N-[6-[1-[(2-methoxy-4-methylphenyl)methyl]piperidin-4-yl]-2-pyridinyl]pyrimidin-2-amine.

Molecular Properties

Compound NameN-[6-[1-[(2-methoxy-4-methylphenyl)methyl]piperidin-4-yl]-2-pyridinyl]pyrimidin-2-amine
PubChem CID110093978
Molecular FormulaC23H27N5O
Molecular Weight389.50 g/mol
Exact Mass389.22
IUPAC NameN-[6-[1-[(2-methoxy-4-methylphenyl)methyl]piperidin-4-yl]-2-pyridinyl]pyrimidin-2-amine
SMILESCOc1cc(C)ccc1CN1CCC(c2cccc(Nc3ncccn3)n2)CC1
InChIInChI=1S/C23H27N5O/c1-17-7-8-19(21(15-17)29-2)16-28-13-9-18(10-14-28)20-5-3-6-22(26-20)27-23-24-11-4-12-25-23/h3-8,11-12,15,18H,9-10,13-14,16H2,1-2H3,(H,24,25,26,27)
InChIKeyPCPUHFZJDXJOIB-UHFFFAOYSA-N
XLogP4.31
TPSA63.17 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.50
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

6-[4-[(2-methoxy-4-methylphenyl)methyl]morpholin-2-yl]-N-pyrimidin-2-ylpyrazin-2-amine
CID 127251780
N-[6-[(2S)-4-[(2-methoxy-4-methylphenyl)methyl]morpholin-2-yl]-2-pyridinyl]-5-methyl-1,3,4-thiadiazol-2-amine
CID 124977478
N-[6-[(2R)-1-[(2-methoxy-4-methylphenyl)methyl]pyrrolidin-2-yl]-2-pyridinyl]-1,3-thiazol-2-amine
CID 95835668
N-[6-[(3S)-1-[(2-methylphenyl)methyl]piperidin-3-yl]-2-pyridinyl]pyrimidin-2-amine
CID 95835954
N-[(2R)-1-methoxypropan-2-yl]-2-[4-[6-(pyrimidin-2-ylamino)-2-pyridinyl]piperidin-1-yl]acetamide
CID 124970558
N,N-diethyl-2-[4-[6-(pyrimidin-2-ylamino)-2-pyridinyl]piperidin-1-yl]acetamide
CID 110093773
N-[6-[1-[(2,6-dimethoxyphenyl)methyl]piperidin-4-yl]pyrazin-2-yl]-4,6-dimethylpyrimidin-2-amine
CID 110094212
N-[6-[(3R)-1-[[3-(methoxymethyl)-4-propan-2-yloxyphenyl]methyl]piperidin-3-yl]-2-pyridinyl]pyrimidin-2-amine
CID 95836059
N-(2-methoxy-6-methylphenyl)-2-[4-[6-(pyridin-2-ylamino)-2-pyridinyl]piperidin-1-yl]acetamide
CID 110109838
N-(2-methoxyphenyl)-2-[4-[6-(pyridin-2-ylamino)-2-pyridinyl]piperidin-1-yl]acetamide
CID 110095808
4-[1-[(2-methoxy-4-methylphenyl)methyl]piperidin-4-yl]-1H-pyridin-2-one
CID 138384381
6-(1-benzylpiperidin-4-yl)-N-pyrimidin-2-ylpyrazin-2-amine
CID 155983124

Frequently Asked Questions

What is the IUPAC name of N-[6-[1-[(2-methoxy-4-methylphenyl)methyl]piperidin-4-yl]-2-pyridinyl]pyrimidin-2-amine?
The IUPAC name of N-[6-[1-[(2-methoxy-4-methylphenyl)methyl]piperidin-4-yl]-2-pyridinyl]pyrimidin-2-amine (CID 110093978) is N-[6-[1-[(2-methoxy-4-methylphenyl)methyl]piperidin-4-yl]-2-pyridinyl]pyrimidin-2-amine.
What is the SMILES notation for N-[6-[1-[(2-methoxy-4-methylphenyl)methyl]piperidin-4-yl]-2-pyridinyl]pyrimidin-2-amine?
The canonical SMILES for N-[6-[1-[(2-methoxy-4-methylphenyl)methyl]piperidin-4-yl]-2-pyridinyl]pyrimidin-2-amine is COc1cc(C)ccc1CN1CCC(c2cccc(Nc3ncccn3)n2)CC1.
What is the InChIKey of N-[6-[1-[(2-methoxy-4-methylphenyl)methyl]piperidin-4-yl]-2-pyridinyl]pyrimidin-2-amine?
The InChIKey is PCPUHFZJDXJOIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N5O/c1-17-7-8-19(21(15-17)29-2)16-28-13-9-18(10-14-28)20-5-3-6-22(26-20)27-23-24-11-4-12-25-23/h3-8,11-12,15,18H,9-10,13-14,16H2,1-2H3,(H,24,25,26,27).
What are the key properties of N-[6-[1-[(2-methoxy-4-methylphenyl)methyl]piperidin-4-yl]-2-pyridinyl]pyrimidin-2-amine?
N-[6-[1-[(2-methoxy-4-methylphenyl)methyl]piperidin-4-yl]-2-pyridinyl]pyrimidin-2-amine has a molecular weight of 389.50 g/mol, XLogP of 4.31, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-[1-[(2-methoxy-4-methylphenyl)methyl]piperidin-4-yl]-2-pyridinyl]pyrimidin-2-amine is sourced from PubChem (CID 110093978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).