6-N-[1-[(2-cyclopropylpyrimidin-4-yl)methyl]piperidin-4-yl]-4-N,4-N-dimethylpyrimidine-4,6-diamine

C19H27N7 — CID 126888559

IUPAC6-N-[1-[(2-cyclopropylpyrimidin-4-yl)methyl]piperidin-4-yl]-4-N,4-N-dimethylpyrimidine-4,6-diamine
SMILESCN(C)c1cc(NC2CCN(Cc3ccnc(C4CC4)n3)CC2)ncn1
InChIInChI=1S/C19H27N7/c1-25(2)18-11-17(21-13-22-18)23-15-6-9-26(10-7-15)12-16-5-8-20-19(24-16)14-3-4-14/h5,8,11,13-15H,3-4,6-7,9-10,12H2,1-2H3,(H,21,22,23)
InChIKeyPZAUNOPGPUXFNR-UHFFFAOYSA-N
MW353.47 g/mol
LogP2.29
Rot. Bonds6

About 6-N-[1-[(2-cyclopropylpyrimidin-4-yl)methyl]piperidin-4-yl]-4-N,4-N-dimethylpyrimidine-4,6-diamine

6-N-[1-[(2-cyclopropylpyrimidin-4-yl)methyl]piperidin-4-yl]-4-N,4-N-dimethylpyrimidine-4,6-diamine (PubChem CID 126888559) has the molecular formula C19H27N7 and a molecular weight of 353.47 g/mol. Its IUPAC name is 6-N-[1-[(2-cyclopropylpyrimidin-4-yl)methyl]piperidin-4-yl]-4-N,4-N-dimethylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name6-N-[1-[(2-cyclopropylpyrimidin-4-yl)methyl]piperidin-4-yl]-4-N,4-N-dimethylpyrimidine-4,6-diamine
PubChem CID126888559
Molecular FormulaC19H27N7
Molecular Weight353.47 g/mol
Exact Mass353.23
IUPAC Name6-N-[1-[(2-cyclopropylpyrimidin-4-yl)methyl]piperidin-4-yl]-4-N,4-N-dimethylpyrimidine-4,6-diamine
SMILESCN(C)c1cc(NC2CCN(Cc3ccnc(C4CC4)n3)CC2)ncn1
InChIInChI=1S/C19H27N7/c1-25(2)18-11-17(21-13-22-18)23-15-6-9-26(10-7-15)12-16-5-8-20-19(24-16)14-3-4-14/h5,8,11,13-15H,3-4,6-7,9-10,12H2,1-2H3,(H,21,22,23)
InChIKeyPZAUNOPGPUXFNR-UHFFFAOYSA-N
XLogP2.29
TPSA70.07 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.47
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-N-[1-[(2-cyclopropylpyrimidin-4-yl)methyl]piperidin-4-yl]-4-N,4-N-dimethylpyrimidine-4,6-diamine?
The IUPAC name of 6-N-[1-[(2-cyclopropylpyrimidin-4-yl)methyl]piperidin-4-yl]-4-N,4-N-dimethylpyrimidine-4,6-diamine (CID 126888559) is 6-N-[1-[(2-cyclopropylpyrimidin-4-yl)methyl]piperidin-4-yl]-4-N,4-N-dimethylpyrimidine-4,6-diamine.
What is the SMILES notation for 6-N-[1-[(2-cyclopropylpyrimidin-4-yl)methyl]piperidin-4-yl]-4-N,4-N-dimethylpyrimidine-4,6-diamine?
The canonical SMILES for 6-N-[1-[(2-cyclopropylpyrimidin-4-yl)methyl]piperidin-4-yl]-4-N,4-N-dimethylpyrimidine-4,6-diamine is CN(C)c1cc(NC2CCN(Cc3ccnc(C4CC4)n3)CC2)ncn1.
What is the InChIKey of 6-N-[1-[(2-cyclopropylpyrimidin-4-yl)methyl]piperidin-4-yl]-4-N,4-N-dimethylpyrimidine-4,6-diamine?
The InChIKey is PZAUNOPGPUXFNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N7/c1-25(2)18-11-17(21-13-22-18)23-15-6-9-26(10-7-15)12-16-5-8-20-19(24-16)14-3-4-14/h5,8,11,13-15H,3-4,6-7,9-10,12H2,1-2H3,(H,21,22,23).
What are the key properties of 6-N-[1-[(2-cyclopropylpyrimidin-4-yl)methyl]piperidin-4-yl]-4-N,4-N-dimethylpyrimidine-4,6-diamine?
6-N-[1-[(2-cyclopropylpyrimidin-4-yl)methyl]piperidin-4-yl]-4-N,4-N-dimethylpyrimidine-4,6-diamine has a molecular weight of 353.47 g/mol, XLogP of 2.29, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-[1-[(2-cyclopropylpyrimidin-4-yl)methyl]piperidin-4-yl]-4-N,4-N-dimethylpyrimidine-4,6-diamine is sourced from PubChem (CID 126888559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).