N-methyl-4-[1-[(2-propylpyrimidin-5-yl)methyl]piperidin-2-yl]pyrimidin-2-amine

C18H26N6 — CID 127244826

IUPACN-methyl-4-[1-[(2-propylpyrimidin-5-yl)methyl]piperidin-2-yl]pyrimidin-2-amine
SMILESCCCc1ncc(CN2CCCCC2c2ccnc(NC)n2)cn1
InChIInChI=1S/C18H26N6/c1-3-6-17-21-11-14(12-22-17)13-24-10-5-4-7-16(24)15-8-9-20-18(19-2)23-15/h8-9,11-12,16H,3-7,10,13H2,1-2H3,(H,19,20,23)
InChIKeyXNEDIFZZUUQWTM-UHFFFAOYSA-N
MW326.45 g/mol
LogP2.99
Rot. Bonds6

About N-methyl-4-[1-[(2-propylpyrimidin-5-yl)methyl]piperidin-2-yl]pyrimidin-2-amine

N-methyl-4-[1-[(2-propylpyrimidin-5-yl)methyl]piperidin-2-yl]pyrimidin-2-amine (PubChem CID 127244826) has the molecular formula C18H26N6 and a molecular weight of 326.45 g/mol. Its IUPAC name is N-methyl-4-[1-[(2-propylpyrimidin-5-yl)methyl]piperidin-2-yl]pyrimidin-2-amine.

Molecular Properties

Compound NameN-methyl-4-[1-[(2-propylpyrimidin-5-yl)methyl]piperidin-2-yl]pyrimidin-2-amine
PubChem CID127244826
Molecular FormulaC18H26N6
Molecular Weight326.45 g/mol
Exact Mass326.22
IUPAC NameN-methyl-4-[1-[(2-propylpyrimidin-5-yl)methyl]piperidin-2-yl]pyrimidin-2-amine
SMILESCCCc1ncc(CN2CCCCC2c2ccnc(NC)n2)cn1
InChIInChI=1S/C18H26N6/c1-3-6-17-21-11-14(12-22-17)13-24-10-5-4-7-16(24)15-8-9-20-18(19-2)23-15/h8-9,11-12,16H,3-7,10,13H2,1-2H3,(H,19,20,23)
InChIKeyXNEDIFZZUUQWTM-UHFFFAOYSA-N
XLogP2.99
TPSA66.83 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.45
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-methyl-4-[1-[(2-propylpyrimidin-5-yl)methyl]piperidin-2-yl]pyrimidin-2-amine?
The IUPAC name of N-methyl-4-[1-[(2-propylpyrimidin-5-yl)methyl]piperidin-2-yl]pyrimidin-2-amine (CID 127244826) is N-methyl-4-[1-[(2-propylpyrimidin-5-yl)methyl]piperidin-2-yl]pyrimidin-2-amine.
What is the SMILES notation for N-methyl-4-[1-[(2-propylpyrimidin-5-yl)methyl]piperidin-2-yl]pyrimidin-2-amine?
The canonical SMILES for N-methyl-4-[1-[(2-propylpyrimidin-5-yl)methyl]piperidin-2-yl]pyrimidin-2-amine is CCCc1ncc(CN2CCCCC2c2ccnc(NC)n2)cn1.
What is the InChIKey of N-methyl-4-[1-[(2-propylpyrimidin-5-yl)methyl]piperidin-2-yl]pyrimidin-2-amine?
The InChIKey is XNEDIFZZUUQWTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N6/c1-3-6-17-21-11-14(12-22-17)13-24-10-5-4-7-16(24)15-8-9-20-18(19-2)23-15/h8-9,11-12,16H,3-7,10,13H2,1-2H3,(H,19,20,23).
What are the key properties of N-methyl-4-[1-[(2-propylpyrimidin-5-yl)methyl]piperidin-2-yl]pyrimidin-2-amine?
N-methyl-4-[1-[(2-propylpyrimidin-5-yl)methyl]piperidin-2-yl]pyrimidin-2-amine has a molecular weight of 326.45 g/mol, XLogP of 2.99, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-4-[1-[(2-propylpyrimidin-5-yl)methyl]piperidin-2-yl]pyrimidin-2-amine is sourced from PubChem (CID 127244826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).