4-[(1-methylpyrrolidin-2-yl)methyl]-1H-pyrimidine-2,4-diamine

C10H19N5 — CID 154376550

IUPAC4-[(1-methylpyrrolidin-2-yl)methyl]-1H-pyrimidine-2,4-diamine
SMILESCN1CCCC1CC1(N)C=CNC(N)=N1
InChIInChI=1S/C10H19N5/c1-15-6-2-3-8(15)7-10(12)4-5-13-9(11)14-10/h4-5,8H,2-3,6-7,12H2,1H3,(H3,11,13,14)
InChIKeySCSLVVFIBAWLQF-UHFFFAOYSA-N
MW209.30 g/mol
LogP-0.44
Rot. Bonds2

About 4-[(1-methylpyrrolidin-2-yl)methyl]-1H-pyrimidine-2,4-diamine

4-[(1-methylpyrrolidin-2-yl)methyl]-1H-pyrimidine-2,4-diamine (PubChem CID 154376550) has the molecular formula C10H19N5 and a molecular weight of 209.30 g/mol. Its IUPAC name is 4-[(1-methylpyrrolidin-2-yl)methyl]-1H-pyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-[(1-methylpyrrolidin-2-yl)methyl]-1H-pyrimidine-2,4-diamine
PubChem CID154376550
Molecular FormulaC10H19N5
Molecular Weight209.30 g/mol
Exact Mass209.16
IUPAC Name4-[(1-methylpyrrolidin-2-yl)methyl]-1H-pyrimidine-2,4-diamine
SMILESCN1CCCC1CC1(N)C=CNC(N)=N1
InChIInChI=1S/C10H19N5/c1-15-6-2-3-8(15)7-10(12)4-5-13-9(11)14-10/h4-5,8H,2-3,6-7,12H2,1H3,(H3,11,13,14)
InChIKeySCSLVVFIBAWLQF-UHFFFAOYSA-N
XLogP-0.44
TPSA79.67 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.30
LogP ≤ 5-0.44
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[(1-methylpyrrolidin-2-yl)methyl]-1H-pyrimidine-2,4-diamine?
The IUPAC name of 4-[(1-methylpyrrolidin-2-yl)methyl]-1H-pyrimidine-2,4-diamine (CID 154376550) is 4-[(1-methylpyrrolidin-2-yl)methyl]-1H-pyrimidine-2,4-diamine.
What is the SMILES notation for 4-[(1-methylpyrrolidin-2-yl)methyl]-1H-pyrimidine-2,4-diamine?
The canonical SMILES for 4-[(1-methylpyrrolidin-2-yl)methyl]-1H-pyrimidine-2,4-diamine is CN1CCCC1CC1(N)C=CNC(N)=N1.
What is the InChIKey of 4-[(1-methylpyrrolidin-2-yl)methyl]-1H-pyrimidine-2,4-diamine?
The InChIKey is SCSLVVFIBAWLQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N5/c1-15-6-2-3-8(15)7-10(12)4-5-13-9(11)14-10/h4-5,8H,2-3,6-7,12H2,1H3,(H3,11,13,14).
What are the key properties of 4-[(1-methylpyrrolidin-2-yl)methyl]-1H-pyrimidine-2,4-diamine?
4-[(1-methylpyrrolidin-2-yl)methyl]-1H-pyrimidine-2,4-diamine has a molecular weight of 209.30 g/mol, XLogP of -0.44, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1-methylpyrrolidin-2-yl)methyl]-1H-pyrimidine-2,4-diamine is sourced from PubChem (CID 154376550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).