6-[(3R,4S)-3-amino-4-cyclopropylpyrrolidin-1-yl]-2-N,2-N-dimethylpyrimidine-2,4-diamine

C13H22N6 — CID 72934333

IUPAC6-[(3R,4S)-3-amino-4-cyclopropylpyrrolidin-1-yl]-2-N,2-N-dimethylpyrimidine-2,4-diamine
SMILESCN(C)c1nc(N)cc(N2C[C@H](C3CC3)[C@@H](N)C2)n1
InChIInChI=1S/C13H22N6/c1-18(2)13-16-11(15)5-12(17-13)19-6-9(8-3-4-8)10(14)7-19/h5,8-10H,3-4,6-7,14H2,1-2H3,(H2,15,16,17)/t9-,10+/m1/s1
InChIKeyYZSVAQLGCHGSHH-ZJUUUORDSA-N
MW262.36 g/mol
LogP0.30
Rot. Bonds3

About 6-[(3R,4S)-3-amino-4-cyclopropylpyrrolidin-1-yl]-2-N,2-N-dimethylpyrimidine-2,4-diamine

6-[(3R,4S)-3-amino-4-cyclopropylpyrrolidin-1-yl]-2-N,2-N-dimethylpyrimidine-2,4-diamine (PubChem CID 72934333) has the molecular formula C13H22N6 and a molecular weight of 262.36 g/mol. Its IUPAC name is 6-[(3R,4S)-3-amino-4-cyclopropylpyrrolidin-1-yl]-2-N,2-N-dimethylpyrimidine-2,4-diamine.

Molecular Properties

Compound Name6-[(3R,4S)-3-amino-4-cyclopropylpyrrolidin-1-yl]-2-N,2-N-dimethylpyrimidine-2,4-diamine
PubChem CID72934333
Molecular FormulaC13H22N6
Molecular Weight262.36 g/mol
Exact Mass262.19
IUPAC Name6-[(3R,4S)-3-amino-4-cyclopropylpyrrolidin-1-yl]-2-N,2-N-dimethylpyrimidine-2,4-diamine
SMILESCN(C)c1nc(N)cc(N2C[C@H](C3CC3)[C@@H](N)C2)n1
InChIInChI=1S/C13H22N6/c1-18(2)13-16-11(15)5-12(17-13)19-6-9(8-3-4-8)10(14)7-19/h5,8-10H,3-4,6-7,14H2,1-2H3,(H2,15,16,17)/t9-,10+/m1/s1
InChIKeyYZSVAQLGCHGSHH-ZJUUUORDSA-N
XLogP0.30
TPSA84.30 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.36
LogP ≤ 50.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-[(3R,4S)-3-amino-4-cyclopropylpyrrolidin-1-yl]-2-N,2-N-dimethylpyrimidine-2,4-diamine?
The IUPAC name of 6-[(3R,4S)-3-amino-4-cyclopropylpyrrolidin-1-yl]-2-N,2-N-dimethylpyrimidine-2,4-diamine (CID 72934333) is 6-[(3R,4S)-3-amino-4-cyclopropylpyrrolidin-1-yl]-2-N,2-N-dimethylpyrimidine-2,4-diamine.
What is the SMILES notation for 6-[(3R,4S)-3-amino-4-cyclopropylpyrrolidin-1-yl]-2-N,2-N-dimethylpyrimidine-2,4-diamine?
The canonical SMILES for 6-[(3R,4S)-3-amino-4-cyclopropylpyrrolidin-1-yl]-2-N,2-N-dimethylpyrimidine-2,4-diamine is CN(C)c1nc(N)cc(N2C[C@H](C3CC3)[C@@H](N)C2)n1.
What is the InChIKey of 6-[(3R,4S)-3-amino-4-cyclopropylpyrrolidin-1-yl]-2-N,2-N-dimethylpyrimidine-2,4-diamine?
The InChIKey is YZSVAQLGCHGSHH-ZJUUUORDSA-N. The full InChI is InChI=1S/C13H22N6/c1-18(2)13-16-11(15)5-12(17-13)19-6-9(8-3-4-8)10(14)7-19/h5,8-10H,3-4,6-7,14H2,1-2H3,(H2,15,16,17)/t9-,10+/m1/s1.
What are the key properties of 6-[(3R,4S)-3-amino-4-cyclopropylpyrrolidin-1-yl]-2-N,2-N-dimethylpyrimidine-2,4-diamine?
6-[(3R,4S)-3-amino-4-cyclopropylpyrrolidin-1-yl]-2-N,2-N-dimethylpyrimidine-2,4-diamine has a molecular weight of 262.36 g/mol, XLogP of 0.30, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(3R,4S)-3-amino-4-cyclopropylpyrrolidin-1-yl]-2-N,2-N-dimethylpyrimidine-2,4-diamine is sourced from PubChem (CID 72934333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).