N-[6-(4-propan-2-ylpiperazin-1-yl)-3-pyridinyl]-4-pyridin-3-ylpyrimidin-2-amine

C21H25N7 — CID 175733112

IUPACN-[6-(4-propan-2-ylpiperazin-1-yl)-3-pyridinyl]-4-pyridin-3-ylpyrimidin-2-amine
SMILESCC(C)N1CCN(c2ccc(Nc3nccc(-c4cccnc4)n3)cn2)CC1
InChIInChI=1S/C21H25N7/c1-16(2)27-10-12-28(13-11-27)20-6-5-18(15-24-20)25-21-23-9-7-19(26-21)17-4-3-8-22-14-17/h3-9,14-16H,10-13H2,1-2H3,(H,23,25,26)
InChIKeyPMSCVXLLERAIMQ-UHFFFAOYSA-N
MW375.48 g/mol
LogP3.21
Rot. Bonds5

About N-[6-(4-propan-2-ylpiperazin-1-yl)-3-pyridinyl]-4-pyridin-3-ylpyrimidin-2-amine

N-[6-(4-propan-2-ylpiperazin-1-yl)-3-pyridinyl]-4-pyridin-3-ylpyrimidin-2-amine (PubChem CID 175733112) has the molecular formula C21H25N7 and a molecular weight of 375.48 g/mol. Its IUPAC name is N-[6-(4-propan-2-ylpiperazin-1-yl)-3-pyridinyl]-4-pyridin-3-ylpyrimidin-2-amine.

Molecular Properties

Compound NameN-[6-(4-propan-2-ylpiperazin-1-yl)-3-pyridinyl]-4-pyridin-3-ylpyrimidin-2-amine
PubChem CID175733112
Molecular FormulaC21H25N7
Molecular Weight375.48 g/mol
Exact Mass375.22
IUPAC NameN-[6-(4-propan-2-ylpiperazin-1-yl)-3-pyridinyl]-4-pyridin-3-ylpyrimidin-2-amine
SMILESCC(C)N1CCN(c2ccc(Nc3nccc(-c4cccnc4)n3)cn2)CC1
InChIInChI=1S/C21H25N7/c1-16(2)27-10-12-28(13-11-27)20-6-5-18(15-24-20)25-21-23-9-7-19(26-21)17-4-3-8-22-14-17/h3-9,14-16H,10-13H2,1-2H3,(H,23,25,26)
InChIKeyPMSCVXLLERAIMQ-UHFFFAOYSA-N
XLogP3.21
TPSA70.07 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.48
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[6-(4-propan-2-ylpiperazin-1-yl)-3-pyridinyl]-4-pyridin-3-ylpyrimidin-2-amine?
The IUPAC name of N-[6-(4-propan-2-ylpiperazin-1-yl)-3-pyridinyl]-4-pyridin-3-ylpyrimidin-2-amine (CID 175733112) is N-[6-(4-propan-2-ylpiperazin-1-yl)-3-pyridinyl]-4-pyridin-3-ylpyrimidin-2-amine.
What is the SMILES notation for N-[6-(4-propan-2-ylpiperazin-1-yl)-3-pyridinyl]-4-pyridin-3-ylpyrimidin-2-amine?
The canonical SMILES for N-[6-(4-propan-2-ylpiperazin-1-yl)-3-pyridinyl]-4-pyridin-3-ylpyrimidin-2-amine is CC(C)N1CCN(c2ccc(Nc3nccc(-c4cccnc4)n3)cn2)CC1.
What is the InChIKey of N-[6-(4-propan-2-ylpiperazin-1-yl)-3-pyridinyl]-4-pyridin-3-ylpyrimidin-2-amine?
The InChIKey is PMSCVXLLERAIMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N7/c1-16(2)27-10-12-28(13-11-27)20-6-5-18(15-24-20)25-21-23-9-7-19(26-21)17-4-3-8-22-14-17/h3-9,14-16H,10-13H2,1-2H3,(H,23,25,26).
What are the key properties of N-[6-(4-propan-2-ylpiperazin-1-yl)-3-pyridinyl]-4-pyridin-3-ylpyrimidin-2-amine?
N-[6-(4-propan-2-ylpiperazin-1-yl)-3-pyridinyl]-4-pyridin-3-ylpyrimidin-2-amine has a molecular weight of 375.48 g/mol, XLogP of 3.21, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(4-propan-2-ylpiperazin-1-yl)-3-pyridinyl]-4-pyridin-3-ylpyrimidin-2-amine is sourced from PubChem (CID 175733112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).