N-[1-(6-ethylpyrimidin-4-yl)piperidin-4-yl]-5,6-dimethyl-2-pyridin-3-ylpyrimidin-4-amine

C22H27N7 — CID 133358055

IUPACN-[1-(6-ethylpyrimidin-4-yl)piperidin-4-yl]-5,6-dimethyl-2-pyridin-3-ylpyrimidin-4-amine
SMILESCCc1cc(N2CCC(Nc3nc(-c4cccnc4)nc(C)c3C)CC2)ncn1
InChIInChI=1S/C22H27N7/c1-4-18-12-20(25-14-24-18)29-10-7-19(8-11-29)27-21-15(2)16(3)26-22(28-21)17-6-5-9-23-13-17/h5-6,9,12-14,19H,4,7-8,10-11H2,1-3H3,(H,26,27,28)
InChIKeyYLFRNOUWQFFFPX-UHFFFAOYSA-N
MW389.51 g/mol
LogP3.59
Rot. Bonds5

About N-[1-(6-ethylpyrimidin-4-yl)piperidin-4-yl]-5,6-dimethyl-2-pyridin-3-ylpyrimidin-4-amine

N-[1-(6-ethylpyrimidin-4-yl)piperidin-4-yl]-5,6-dimethyl-2-pyridin-3-ylpyrimidin-4-amine (PubChem CID 133358055) has the molecular formula C22H27N7 and a molecular weight of 389.51 g/mol. Its IUPAC name is N-[1-(6-ethylpyrimidin-4-yl)piperidin-4-yl]-5,6-dimethyl-2-pyridin-3-ylpyrimidin-4-amine.

Molecular Properties

Compound NameN-[1-(6-ethylpyrimidin-4-yl)piperidin-4-yl]-5,6-dimethyl-2-pyridin-3-ylpyrimidin-4-amine
PubChem CID133358055
Molecular FormulaC22H27N7
Molecular Weight389.51 g/mol
Exact Mass389.23
IUPAC NameN-[1-(6-ethylpyrimidin-4-yl)piperidin-4-yl]-5,6-dimethyl-2-pyridin-3-ylpyrimidin-4-amine
SMILESCCc1cc(N2CCC(Nc3nc(-c4cccnc4)nc(C)c3C)CC2)ncn1
InChIInChI=1S/C22H27N7/c1-4-18-12-20(25-14-24-18)29-10-7-19(8-11-29)27-21-15(2)16(3)26-22(28-21)17-6-5-9-23-13-17/h5-6,9,12-14,19H,4,7-8,10-11H2,1-3H3,(H,26,27,28)
InChIKeyYLFRNOUWQFFFPX-UHFFFAOYSA-N
XLogP3.59
TPSA79.72 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.51
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-[1-(6-ethylpyrimidin-4-yl)piperidin-4-yl]-5,6-dimethyl-2-pyridin-3-ylpyrimidin-4-amine with MolForge

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Related Compounds

5,6-dimethyl-N-[(3R)-1-(1-methylpyrazol-4-yl)pyrrolidin-3-yl]-2-pyridin-3-ylpyrimidin-4-amine
CID 96517293
6-ethyl-N-[1-(6-ethylpyrimidin-4-yl)piperidin-4-yl]-2-pyridin-4-ylpyrimidin-4-amine
CID 133358047
4-[(5,6-dimethyl-2-pyridin-3-ylpyrimidin-4-yl)amino]cyclohexane-1-carboxylic acid
CID 122060070
N-(1,1-dioxothian-4-yl)-5,6-dimethyl-2-pyridin-3-ylpyrimidin-4-amine
CID 167967042
2-[4-(6-ethylpyrimidin-4-yl)piperazin-1-yl]-4-pyridin-3-ylpyrimidine
CID 74231908
N-[1-(6-ethylpyrimidin-4-yl)piperidin-4-yl]-2-methyl-5,6,7,8-tetrahydroquinazolin-4-amine
CID 127805061
N-(3,5-dimethoxyphenyl)-1-(5,6-dimethyl-2-pyridin-3-ylpyrimidin-4-yl)piperidin-4-amine
CID 133337542
N-[1-(6-ethylpyrimidin-4-yl)piperidin-4-yl]-6-fluoropyridin-2-amine
CID 133343829
3-[[1-(6-ethylpyrimidin-4-yl)piperidin-4-yl]amino]pyrazine-2-carbonitrile
CID 71980270
N-(cyclopropylmethyl)-5,6-dimethyl-2-pyridin-3-ylpyrimidin-4-amine
CID 133334209
2-N-[1-(6-ethylpyrimidin-4-yl)piperidin-4-yl]-4-N,4-N-dimethylpyrimidine-2,4-diamine
CID 146128905
4-[3-[(5,6-dimethyl-2-pyridin-3-ylpyrimidin-4-yl)amino]piperidin-1-yl]-3-fluorobenzonitrile
CID 133321580

Frequently Asked Questions

What is the IUPAC name of N-[1-(6-ethylpyrimidin-4-yl)piperidin-4-yl]-5,6-dimethyl-2-pyridin-3-ylpyrimidin-4-amine?
The IUPAC name of N-[1-(6-ethylpyrimidin-4-yl)piperidin-4-yl]-5,6-dimethyl-2-pyridin-3-ylpyrimidin-4-amine (CID 133358055) is N-[1-(6-ethylpyrimidin-4-yl)piperidin-4-yl]-5,6-dimethyl-2-pyridin-3-ylpyrimidin-4-amine.
What is the SMILES notation for N-[1-(6-ethylpyrimidin-4-yl)piperidin-4-yl]-5,6-dimethyl-2-pyridin-3-ylpyrimidin-4-amine?
The canonical SMILES for N-[1-(6-ethylpyrimidin-4-yl)piperidin-4-yl]-5,6-dimethyl-2-pyridin-3-ylpyrimidin-4-amine is CCc1cc(N2CCC(Nc3nc(-c4cccnc4)nc(C)c3C)CC2)ncn1.
What is the InChIKey of N-[1-(6-ethylpyrimidin-4-yl)piperidin-4-yl]-5,6-dimethyl-2-pyridin-3-ylpyrimidin-4-amine?
The InChIKey is YLFRNOUWQFFFPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N7/c1-4-18-12-20(25-14-24-18)29-10-7-19(8-11-29)27-21-15(2)16(3)26-22(28-21)17-6-5-9-23-13-17/h5-6,9,12-14,19H,4,7-8,10-11H2,1-3H3,(H,26,27,28).
What are the key properties of N-[1-(6-ethylpyrimidin-4-yl)piperidin-4-yl]-5,6-dimethyl-2-pyridin-3-ylpyrimidin-4-amine?
N-[1-(6-ethylpyrimidin-4-yl)piperidin-4-yl]-5,6-dimethyl-2-pyridin-3-ylpyrimidin-4-amine has a molecular weight of 389.51 g/mol, XLogP of 3.59, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(6-ethylpyrimidin-4-yl)piperidin-4-yl]-5,6-dimethyl-2-pyridin-3-ylpyrimidin-4-amine is sourced from PubChem (CID 133358055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).