6-(2-aminoethyl)-N,2-dimethyl-N-[1-(4-methyl-2-pyridinyl)propan-2-yl]pyrimidin-4-amine

C17H25N5 — CID 56722794

IUPAC6-(2-aminoethyl)-N,2-dimethyl-N-[1-(4-methyl-2-pyridinyl)propan-2-yl]pyrimidin-4-amine
SMILESCc1ccnc(CC(C)N(C)c2cc(CCN)nc(C)n2)c1
InChIInChI=1S/C17H25N5/c1-12-6-8-19-16(9-12)10-13(2)22(4)17-11-15(5-7-18)20-14(3)21-17/h6,8-9,11,13H,5,7,10,18H2,1-4H3
InChIKeyKHYASQBDDCRSBA-UHFFFAOYSA-N
MW299.42 g/mol
LogP2.06
Rot. Bonds6

About 6-(2-aminoethyl)-N,2-dimethyl-N-[1-(4-methyl-2-pyridinyl)propan-2-yl]pyrimidin-4-amine

6-(2-aminoethyl)-N,2-dimethyl-N-[1-(4-methyl-2-pyridinyl)propan-2-yl]pyrimidin-4-amine (PubChem CID 56722794) has the molecular formula C17H25N5 and a molecular weight of 299.42 g/mol. Its IUPAC name is 6-(2-aminoethyl)-N,2-dimethyl-N-[1-(4-methyl-2-pyridinyl)propan-2-yl]pyrimidin-4-amine.

Molecular Properties

Compound Name6-(2-aminoethyl)-N,2-dimethyl-N-[1-(4-methyl-2-pyridinyl)propan-2-yl]pyrimidin-4-amine
PubChem CID56722794
Molecular FormulaC17H25N5
Molecular Weight299.42 g/mol
Exact Mass299.21
IUPAC Name6-(2-aminoethyl)-N,2-dimethyl-N-[1-(4-methyl-2-pyridinyl)propan-2-yl]pyrimidin-4-amine
SMILESCc1ccnc(CC(C)N(C)c2cc(CCN)nc(C)n2)c1
InChIInChI=1S/C17H25N5/c1-12-6-8-19-16(9-12)10-13(2)22(4)17-11-15(5-7-18)20-14(3)21-17/h6,8-9,11,13H,5,7,10,18H2,1-4H3
InChIKeyKHYASQBDDCRSBA-UHFFFAOYSA-N
XLogP2.06
TPSA67.93 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.42
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-(2-aminoethyl)-N,2-dimethyl-N-[1-(4-methyl-2-pyridinyl)propan-2-yl]pyrimidin-4-amine?
The IUPAC name of 6-(2-aminoethyl)-N,2-dimethyl-N-[1-(4-methyl-2-pyridinyl)propan-2-yl]pyrimidin-4-amine (CID 56722794) is 6-(2-aminoethyl)-N,2-dimethyl-N-[1-(4-methyl-2-pyridinyl)propan-2-yl]pyrimidin-4-amine.
What is the SMILES notation for 6-(2-aminoethyl)-N,2-dimethyl-N-[1-(4-methyl-2-pyridinyl)propan-2-yl]pyrimidin-4-amine?
The canonical SMILES for 6-(2-aminoethyl)-N,2-dimethyl-N-[1-(4-methyl-2-pyridinyl)propan-2-yl]pyrimidin-4-amine is Cc1ccnc(CC(C)N(C)c2cc(CCN)nc(C)n2)c1.
What is the InChIKey of 6-(2-aminoethyl)-N,2-dimethyl-N-[1-(4-methyl-2-pyridinyl)propan-2-yl]pyrimidin-4-amine?
The InChIKey is KHYASQBDDCRSBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N5/c1-12-6-8-19-16(9-12)10-13(2)22(4)17-11-15(5-7-18)20-14(3)21-17/h6,8-9,11,13H,5,7,10,18H2,1-4H3.
What are the key properties of 6-(2-aminoethyl)-N,2-dimethyl-N-[1-(4-methyl-2-pyridinyl)propan-2-yl]pyrimidin-4-amine?
6-(2-aminoethyl)-N,2-dimethyl-N-[1-(4-methyl-2-pyridinyl)propan-2-yl]pyrimidin-4-amine has a molecular weight of 299.42 g/mol, XLogP of 2.06, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-aminoethyl)-N,2-dimethyl-N-[1-(4-methyl-2-pyridinyl)propan-2-yl]pyrimidin-4-amine is sourced from PubChem (CID 56722794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).