4-[(3R)-pyrrolidin-3-yl]-1H-pyrimidine-2,4,6-triamine

C8H16N6 — CID 154502134

IUPAC4-[(3R)-pyrrolidin-3-yl]-1H-pyrimidine-2,4,6-triamine
SMILESNC1=CC(N)([C@@H]2CCNC2)N=C(N)N1
InChIInChI=1S/C8H16N6/c9-6-3-8(11,14-7(10)13-6)5-1-2-12-4-5/h3,5,12H,1-2,4,9,11H2,(H3,10,13,14)/t5-,8?/m1/s1
InChIKeyMKYFDDBYQKVXSQ-RUQIKYNFSA-N
MW196.26 g/mol
LogP-2.03
Rot. Bonds1

About 4-[(3R)-pyrrolidin-3-yl]-1H-pyrimidine-2,4,6-triamine

4-[(3R)-pyrrolidin-3-yl]-1H-pyrimidine-2,4,6-triamine (PubChem CID 154502134) has the molecular formula C8H16N6 and a molecular weight of 196.26 g/mol. Its IUPAC name is 4-[(3R)-pyrrolidin-3-yl]-1H-pyrimidine-2,4,6-triamine.

Molecular Properties

Compound Name4-[(3R)-pyrrolidin-3-yl]-1H-pyrimidine-2,4,6-triamine
PubChem CID154502134
Molecular FormulaC8H16N6
Molecular Weight196.26 g/mol
Exact Mass196.14
IUPAC Name4-[(3R)-pyrrolidin-3-yl]-1H-pyrimidine-2,4,6-triamine
SMILESNC1=CC(N)([C@@H]2CCNC2)N=C(N)N1
InChIInChI=1S/C8H16N6/c9-6-3-8(11,14-7(10)13-6)5-1-2-12-4-5/h3,5,12H,1-2,4,9,11H2,(H3,10,13,14)/t5-,8?/m1/s1
InChIKeyMKYFDDBYQKVXSQ-RUQIKYNFSA-N
XLogP-2.03
TPSA114.48 Ų
H-Bond Donors5
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.26
LogP ≤ 5-2.03
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[(3R)-pyrrolidin-3-yl]-1H-pyrimidine-2,4,6-triamine?
The IUPAC name of 4-[(3R)-pyrrolidin-3-yl]-1H-pyrimidine-2,4,6-triamine (CID 154502134) is 4-[(3R)-pyrrolidin-3-yl]-1H-pyrimidine-2,4,6-triamine.
What is the SMILES notation for 4-[(3R)-pyrrolidin-3-yl]-1H-pyrimidine-2,4,6-triamine?
The canonical SMILES for 4-[(3R)-pyrrolidin-3-yl]-1H-pyrimidine-2,4,6-triamine is NC1=CC(N)([C@@H]2CCNC2)N=C(N)N1.
What is the InChIKey of 4-[(3R)-pyrrolidin-3-yl]-1H-pyrimidine-2,4,6-triamine?
The InChIKey is MKYFDDBYQKVXSQ-RUQIKYNFSA-N. The full InChI is InChI=1S/C8H16N6/c9-6-3-8(11,14-7(10)13-6)5-1-2-12-4-5/h3,5,12H,1-2,4,9,11H2,(H3,10,13,14)/t5-,8?/m1/s1.
What are the key properties of 4-[(3R)-pyrrolidin-3-yl]-1H-pyrimidine-2,4,6-triamine?
4-[(3R)-pyrrolidin-3-yl]-1H-pyrimidine-2,4,6-triamine has a molecular weight of 196.26 g/mol, XLogP of -2.03, 1 rotatable bonds, 5 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3R)-pyrrolidin-3-yl]-1H-pyrimidine-2,4,6-triamine is sourced from PubChem (CID 154502134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).