4-methyl-6-pyrrolidin-1-yl-1H-pyrimidine-4,5-diamine

C9H17N5 — CID 154238804

IUPAC4-methyl-6-pyrrolidin-1-yl-1H-pyrimidine-4,5-diamine
SMILESCC1(N)N=CNC(N2CCCC2)=C1N
InChIInChI=1S/C9H17N5/c1-9(11)7(10)8(12-6-13-9)14-4-2-3-5-14/h6H,2-5,10-11H2,1H3,(H,12,13)
InChIKeyQIUGUHIKLAJYLT-UHFFFAOYSA-N
MW195.27 g/mol
LogP-0.48
Rot. Bonds1

About 4-methyl-6-pyrrolidin-1-yl-1H-pyrimidine-4,5-diamine

4-methyl-6-pyrrolidin-1-yl-1H-pyrimidine-4,5-diamine (PubChem CID 154238804) has the molecular formula C9H17N5 and a molecular weight of 195.27 g/mol. Its IUPAC name is 4-methyl-6-pyrrolidin-1-yl-1H-pyrimidine-4,5-diamine.

Molecular Properties

Compound Name4-methyl-6-pyrrolidin-1-yl-1H-pyrimidine-4,5-diamine
PubChem CID154238804
Molecular FormulaC9H17N5
Molecular Weight195.27 g/mol
Exact Mass195.15
IUPAC Name4-methyl-6-pyrrolidin-1-yl-1H-pyrimidine-4,5-diamine
SMILESCC1(N)N=CNC(N2CCCC2)=C1N
InChIInChI=1S/C9H17N5/c1-9(11)7(10)8(12-6-13-9)14-4-2-3-5-14/h6H,2-5,10-11H2,1H3,(H,12,13)
InChIKeyQIUGUHIKLAJYLT-UHFFFAOYSA-N
XLogP-0.48
TPSA79.67 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.27
LogP ≤ 5-0.48
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-6-pyrrolidin-1-yl-1H-pyrimidine-4,5-diamine?
The IUPAC name of 4-methyl-6-pyrrolidin-1-yl-1H-pyrimidine-4,5-diamine (CID 154238804) is 4-methyl-6-pyrrolidin-1-yl-1H-pyrimidine-4,5-diamine.
What is the SMILES notation for 4-methyl-6-pyrrolidin-1-yl-1H-pyrimidine-4,5-diamine?
The canonical SMILES for 4-methyl-6-pyrrolidin-1-yl-1H-pyrimidine-4,5-diamine is CC1(N)N=CNC(N2CCCC2)=C1N.
What is the InChIKey of 4-methyl-6-pyrrolidin-1-yl-1H-pyrimidine-4,5-diamine?
The InChIKey is QIUGUHIKLAJYLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N5/c1-9(11)7(10)8(12-6-13-9)14-4-2-3-5-14/h6H,2-5,10-11H2,1H3,(H,12,13).
What are the key properties of 4-methyl-6-pyrrolidin-1-yl-1H-pyrimidine-4,5-diamine?
4-methyl-6-pyrrolidin-1-yl-1H-pyrimidine-4,5-diamine has a molecular weight of 195.27 g/mol, XLogP of -0.48, 1 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-6-pyrrolidin-1-yl-1H-pyrimidine-4,5-diamine is sourced from PubChem (CID 154238804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).