4-(aminomethyl)-N-(2-methoxypropyl)-N-methyl-2-propan-2-ylpyrimidin-5-amine

C13H24N4O — CID 112754624

IUPAC4-(aminomethyl)-N-(2-methoxypropyl)-N-methyl-2-propan-2-ylpyrimidin-5-amine
SMILESCOC(C)CN(C)c1cnc(C(C)C)nc1CN
InChIInChI=1S/C13H24N4O/c1-9(2)13-15-7-12(11(6-14)16-13)17(4)8-10(3)18-5/h7,9-10H,6,8,14H2,1-5H3
InChIKeyZAMYFHSNRBJPLT-UHFFFAOYSA-N
MW252.36 g/mol
LogP1.53
Rot. Bonds6

About 4-(aminomethyl)-N-(2-methoxypropyl)-N-methyl-2-propan-2-ylpyrimidin-5-amine

4-(aminomethyl)-N-(2-methoxypropyl)-N-methyl-2-propan-2-ylpyrimidin-5-amine (PubChem CID 112754624) has the molecular formula C13H24N4O and a molecular weight of 252.36 g/mol. Its IUPAC name is 4-(aminomethyl)-N-(2-methoxypropyl)-N-methyl-2-propan-2-ylpyrimidin-5-amine.

Molecular Properties

Compound Name4-(aminomethyl)-N-(2-methoxypropyl)-N-methyl-2-propan-2-ylpyrimidin-5-amine
PubChem CID112754624
Molecular FormulaC13H24N4O
Molecular Weight252.36 g/mol
Exact Mass252.20
IUPAC Name4-(aminomethyl)-N-(2-methoxypropyl)-N-methyl-2-propan-2-ylpyrimidin-5-amine
SMILESCOC(C)CN(C)c1cnc(C(C)C)nc1CN
InChIInChI=1S/C13H24N4O/c1-9(2)13-15-7-12(11(6-14)16-13)17(4)8-10(3)18-5/h7,9-10H,6,8,14H2,1-5H3
InChIKeyZAMYFHSNRBJPLT-UHFFFAOYSA-N
XLogP1.53
TPSA64.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.36
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-N-(2-methoxypropyl)-N-methyl-2-propan-2-ylpyrimidin-5-amine?
The IUPAC name of 4-(aminomethyl)-N-(2-methoxypropyl)-N-methyl-2-propan-2-ylpyrimidin-5-amine (CID 112754624) is 4-(aminomethyl)-N-(2-methoxypropyl)-N-methyl-2-propan-2-ylpyrimidin-5-amine.
What is the SMILES notation for 4-(aminomethyl)-N-(2-methoxypropyl)-N-methyl-2-propan-2-ylpyrimidin-5-amine?
The canonical SMILES for 4-(aminomethyl)-N-(2-methoxypropyl)-N-methyl-2-propan-2-ylpyrimidin-5-amine is COC(C)CN(C)c1cnc(C(C)C)nc1CN.
What is the InChIKey of 4-(aminomethyl)-N-(2-methoxypropyl)-N-methyl-2-propan-2-ylpyrimidin-5-amine?
The InChIKey is ZAMYFHSNRBJPLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N4O/c1-9(2)13-15-7-12(11(6-14)16-13)17(4)8-10(3)18-5/h7,9-10H,6,8,14H2,1-5H3.
What are the key properties of 4-(aminomethyl)-N-(2-methoxypropyl)-N-methyl-2-propan-2-ylpyrimidin-5-amine?
4-(aminomethyl)-N-(2-methoxypropyl)-N-methyl-2-propan-2-ylpyrimidin-5-amine has a molecular weight of 252.36 g/mol, XLogP of 1.53, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-N-(2-methoxypropyl)-N-methyl-2-propan-2-ylpyrimidin-5-amine is sourced from PubChem (CID 112754624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).