2-[3-(dimethylamino)propyl]-2-N-methyl-1H-pyrimidine-2,5-diamine

C10H21N5 — CID 154095966

IUPAC2-[3-(dimethylamino)propyl]-2-N-methyl-1H-pyrimidine-2,5-diamine
SMILESCNC1(CCCN(C)C)N=CC(N)=CN1
InChIInChI=1S/C10H21N5/c1-12-10(5-4-6-15(2)3)13-7-9(11)8-14-10/h7-8,12-13H,4-6,11H2,1-3H3
InChIKeyWLFZYJPEEOZQQU-UHFFFAOYSA-N
MW211.31 g/mol
LogP-0.32
Rot. Bonds5

About 2-[3-(dimethylamino)propyl]-2-N-methyl-1H-pyrimidine-2,5-diamine

2-[3-(dimethylamino)propyl]-2-N-methyl-1H-pyrimidine-2,5-diamine (PubChem CID 154095966) has the molecular formula C10H21N5 and a molecular weight of 211.31 g/mol. Its IUPAC name is 2-[3-(dimethylamino)propyl]-2-N-methyl-1H-pyrimidine-2,5-diamine.

Molecular Properties

Compound Name2-[3-(dimethylamino)propyl]-2-N-methyl-1H-pyrimidine-2,5-diamine
PubChem CID154095966
Molecular FormulaC10H21N5
Molecular Weight211.31 g/mol
Exact Mass211.18
IUPAC Name2-[3-(dimethylamino)propyl]-2-N-methyl-1H-pyrimidine-2,5-diamine
SMILESCNC1(CCCN(C)C)N=CC(N)=CN1
InChIInChI=1S/C10H21N5/c1-12-10(5-4-6-15(2)3)13-7-9(11)8-14-10/h7-8,12-13H,4-6,11H2,1-3H3
InChIKeyWLFZYJPEEOZQQU-UHFFFAOYSA-N
XLogP-0.32
TPSA65.68 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.31
LogP ≤ 5-0.32
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[3-(dimethylamino)propyl]-2-N-methyl-1H-pyrimidine-2,5-diamine?
The IUPAC name of 2-[3-(dimethylamino)propyl]-2-N-methyl-1H-pyrimidine-2,5-diamine (CID 154095966) is 2-[3-(dimethylamino)propyl]-2-N-methyl-1H-pyrimidine-2,5-diamine.
What is the SMILES notation for 2-[3-(dimethylamino)propyl]-2-N-methyl-1H-pyrimidine-2,5-diamine?
The canonical SMILES for 2-[3-(dimethylamino)propyl]-2-N-methyl-1H-pyrimidine-2,5-diamine is CNC1(CCCN(C)C)N=CC(N)=CN1.
What is the InChIKey of 2-[3-(dimethylamino)propyl]-2-N-methyl-1H-pyrimidine-2,5-diamine?
The InChIKey is WLFZYJPEEOZQQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21N5/c1-12-10(5-4-6-15(2)3)13-7-9(11)8-14-10/h7-8,12-13H,4-6,11H2,1-3H3.
What are the key properties of 2-[3-(dimethylamino)propyl]-2-N-methyl-1H-pyrimidine-2,5-diamine?
2-[3-(dimethylamino)propyl]-2-N-methyl-1H-pyrimidine-2,5-diamine has a molecular weight of 211.31 g/mol, XLogP of -0.32, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(dimethylamino)propyl]-2-N-methyl-1H-pyrimidine-2,5-diamine is sourced from PubChem (CID 154095966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).