N-methyl-4-(methylaminomethyl)-N-(1-methylpiperidin-3-yl)-2-propan-2-ylpyrimidin-5-amine

C16H29N5 — CID 62547182

IUPACN-methyl-4-(methylaminomethyl)-N-(1-methylpiperidin-3-yl)-2-propan-2-ylpyrimidin-5-amine
SMILESCNCc1nc(C(C)C)ncc1N(C)C1CCCN(C)C1
InChIInChI=1S/C16H29N5/c1-12(2)16-18-10-15(14(19-16)9-17-3)21(5)13-7-6-8-20(4)11-13/h10,12-13,17H,6-9,11H2,1-5H3
InChIKeyDNTHIPLLJLLLNJ-UHFFFAOYSA-N
MW291.44 g/mol
LogP1.85
Rot. Bonds5

About N-methyl-4-(methylaminomethyl)-N-(1-methylpiperidin-3-yl)-2-propan-2-ylpyrimidin-5-amine

N-methyl-4-(methylaminomethyl)-N-(1-methylpiperidin-3-yl)-2-propan-2-ylpyrimidin-5-amine (PubChem CID 62547182) has the molecular formula C16H29N5 and a molecular weight of 291.44 g/mol. Its IUPAC name is N-methyl-4-(methylaminomethyl)-N-(1-methylpiperidin-3-yl)-2-propan-2-ylpyrimidin-5-amine.

Molecular Properties

Compound NameN-methyl-4-(methylaminomethyl)-N-(1-methylpiperidin-3-yl)-2-propan-2-ylpyrimidin-5-amine
PubChem CID62547182
Molecular FormulaC16H29N5
Molecular Weight291.44 g/mol
Exact Mass291.24
IUPAC NameN-methyl-4-(methylaminomethyl)-N-(1-methylpiperidin-3-yl)-2-propan-2-ylpyrimidin-5-amine
SMILESCNCc1nc(C(C)C)ncc1N(C)C1CCCN(C)C1
InChIInChI=1S/C16H29N5/c1-12(2)16-18-10-15(14(19-16)9-17-3)21(5)13-7-6-8-20(4)11-13/h10,12-13,17H,6-9,11H2,1-5H3
InChIKeyDNTHIPLLJLLLNJ-UHFFFAOYSA-N
XLogP1.85
TPSA44.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.44
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-methyl-4-(methylaminomethyl)-N-(1-methylpiperidin-3-yl)-2-propan-2-ylpyrimidin-5-amine?
The IUPAC name of N-methyl-4-(methylaminomethyl)-N-(1-methylpiperidin-3-yl)-2-propan-2-ylpyrimidin-5-amine (CID 62547182) is N-methyl-4-(methylaminomethyl)-N-(1-methylpiperidin-3-yl)-2-propan-2-ylpyrimidin-5-amine.
What is the SMILES notation for N-methyl-4-(methylaminomethyl)-N-(1-methylpiperidin-3-yl)-2-propan-2-ylpyrimidin-5-amine?
The canonical SMILES for N-methyl-4-(methylaminomethyl)-N-(1-methylpiperidin-3-yl)-2-propan-2-ylpyrimidin-5-amine is CNCc1nc(C(C)C)ncc1N(C)C1CCCN(C)C1.
What is the InChIKey of N-methyl-4-(methylaminomethyl)-N-(1-methylpiperidin-3-yl)-2-propan-2-ylpyrimidin-5-amine?
The InChIKey is DNTHIPLLJLLLNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29N5/c1-12(2)16-18-10-15(14(19-16)9-17-3)21(5)13-7-6-8-20(4)11-13/h10,12-13,17H,6-9,11H2,1-5H3.
What are the key properties of N-methyl-4-(methylaminomethyl)-N-(1-methylpiperidin-3-yl)-2-propan-2-ylpyrimidin-5-amine?
N-methyl-4-(methylaminomethyl)-N-(1-methylpiperidin-3-yl)-2-propan-2-ylpyrimidin-5-amine has a molecular weight of 291.44 g/mol, XLogP of 1.85, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-4-(methylaminomethyl)-N-(1-methylpiperidin-3-yl)-2-propan-2-ylpyrimidin-5-amine is sourced from PubChem (CID 62547182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).