N-methyl-5-[[methyl-(1-propan-2-ylpiperidin-4-yl)amino]methyl]pyrimidin-2-amine

C15H27N5 — CID 95857554

IUPACN-methyl-5-[[methyl-(1-propan-2-ylpiperidin-4-yl)amino]methyl]pyrimidin-2-amine
SMILESCNc1ncc(CN(C)C2CCN(C(C)C)CC2)cn1
InChIInChI=1S/C15H27N5/c1-12(2)20-7-5-14(6-8-20)19(4)11-13-9-17-15(16-3)18-10-13/h9-10,12,14H,5-8,11H2,1-4H3,(H,16,17,18)
InChIKeyLFTDNVBKVJLHEN-UHFFFAOYSA-N
MW277.42 g/mol
LogP1.82
Rot. Bonds5

About N-methyl-5-[[methyl-(1-propan-2-ylpiperidin-4-yl)amino]methyl]pyrimidin-2-amine

N-methyl-5-[[methyl-(1-propan-2-ylpiperidin-4-yl)amino]methyl]pyrimidin-2-amine (PubChem CID 95857554) has the molecular formula C15H27N5 and a molecular weight of 277.42 g/mol. Its IUPAC name is N-methyl-5-[[methyl-(1-propan-2-ylpiperidin-4-yl)amino]methyl]pyrimidin-2-amine.

Molecular Properties

Compound NameN-methyl-5-[[methyl-(1-propan-2-ylpiperidin-4-yl)amino]methyl]pyrimidin-2-amine
PubChem CID95857554
Molecular FormulaC15H27N5
Molecular Weight277.42 g/mol
Exact Mass277.23
IUPAC NameN-methyl-5-[[methyl-(1-propan-2-ylpiperidin-4-yl)amino]methyl]pyrimidin-2-amine
SMILESCNc1ncc(CN(C)C2CCN(C(C)C)CC2)cn1
InChIInChI=1S/C15H27N5/c1-12(2)20-7-5-14(6-8-20)19(4)11-13-9-17-15(16-3)18-10-13/h9-10,12,14H,5-8,11H2,1-4H3,(H,16,17,18)
InChIKeyLFTDNVBKVJLHEN-UHFFFAOYSA-N
XLogP1.82
TPSA44.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.42
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-methyl-5-[[methyl-(1-propan-2-ylpiperidin-4-yl)amino]methyl]pyrimidin-2-amine?
The IUPAC name of N-methyl-5-[[methyl-(1-propan-2-ylpiperidin-4-yl)amino]methyl]pyrimidin-2-amine (CID 95857554) is N-methyl-5-[[methyl-(1-propan-2-ylpiperidin-4-yl)amino]methyl]pyrimidin-2-amine.
What is the SMILES notation for N-methyl-5-[[methyl-(1-propan-2-ylpiperidin-4-yl)amino]methyl]pyrimidin-2-amine?
The canonical SMILES for N-methyl-5-[[methyl-(1-propan-2-ylpiperidin-4-yl)amino]methyl]pyrimidin-2-amine is CNc1ncc(CN(C)C2CCN(C(C)C)CC2)cn1.
What is the InChIKey of N-methyl-5-[[methyl-(1-propan-2-ylpiperidin-4-yl)amino]methyl]pyrimidin-2-amine?
The InChIKey is LFTDNVBKVJLHEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N5/c1-12(2)20-7-5-14(6-8-20)19(4)11-13-9-17-15(16-3)18-10-13/h9-10,12,14H,5-8,11H2,1-4H3,(H,16,17,18).
What are the key properties of N-methyl-5-[[methyl-(1-propan-2-ylpiperidin-4-yl)amino]methyl]pyrimidin-2-amine?
N-methyl-5-[[methyl-(1-propan-2-ylpiperidin-4-yl)amino]methyl]pyrimidin-2-amine has a molecular weight of 277.42 g/mol, XLogP of 1.82, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-5-[[methyl-(1-propan-2-ylpiperidin-4-yl)amino]methyl]pyrimidin-2-amine is sourced from PubChem (CID 95857554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).