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

C14H28N6 — CID 151029507

IUPAC4-(2,2-dimethylpropyl)-6-[(3R)-3-(methylamino)pyrrolidin-1-yl]-1H-pyrimidine-2,4-diamine
SMILESCN[C@@H]1CCN(C2=CC(N)(CC(C)(C)C)N=C(N)N2)C1
InChIInChI=1S/C14H28N6/c1-13(2,3)9-14(16)7-11(18-12(15)19-14)20-6-5-10(8-20)17-4/h7,10,17H,5-6,8-9,16H2,1-4H3,(H3,15,18,19)/t10-,14?/m1/s1
InChIKeyLZTIASBKLYGOJU-IAPIXIRKSA-N
MW280.42 g/mol
LogP0.13
Rot. Bonds3

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

4-(2,2-dimethylpropyl)-6-[(3R)-3-(methylamino)pyrrolidin-1-yl]-1H-pyrimidine-2,4-diamine (PubChem CID 151029507) has the molecular formula C14H28N6 and a molecular weight of 280.42 g/mol. Its IUPAC name is 4-(2,2-dimethylpropyl)-6-[(3R)-3-(methylamino)pyrrolidin-1-yl]-1H-pyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-(2,2-dimethylpropyl)-6-[(3R)-3-(methylamino)pyrrolidin-1-yl]-1H-pyrimidine-2,4-diamine
PubChem CID151029507
Molecular FormulaC14H28N6
Molecular Weight280.42 g/mol
Exact Mass280.24
IUPAC Name4-(2,2-dimethylpropyl)-6-[(3R)-3-(methylamino)pyrrolidin-1-yl]-1H-pyrimidine-2,4-diamine
SMILESCN[C@@H]1CCN(C2=CC(N)(CC(C)(C)C)N=C(N)N2)C1
InChIInChI=1S/C14H28N6/c1-13(2,3)9-14(16)7-11(18-12(15)19-14)20-6-5-10(8-20)17-4/h7,10,17H,5-6,8-9,16H2,1-4H3,(H3,15,18,19)/t10-,14?/m1/s1
InChIKeyLZTIASBKLYGOJU-IAPIXIRKSA-N
XLogP0.13
TPSA91.70 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.42
LogP ≤ 50.13
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-(2,2-dimethylpropyl)-6-[(3R)-3-(methylamino)pyrrolidin-1-yl]-1H-pyrimidine-2,4-diamine?
The IUPAC name of 4-(2,2-dimethylpropyl)-6-[(3R)-3-(methylamino)pyrrolidin-1-yl]-1H-pyrimidine-2,4-diamine (CID 151029507) is 4-(2,2-dimethylpropyl)-6-[(3R)-3-(methylamino)pyrrolidin-1-yl]-1H-pyrimidine-2,4-diamine.
What is the SMILES notation for 4-(2,2-dimethylpropyl)-6-[(3R)-3-(methylamino)pyrrolidin-1-yl]-1H-pyrimidine-2,4-diamine?
The canonical SMILES for 4-(2,2-dimethylpropyl)-6-[(3R)-3-(methylamino)pyrrolidin-1-yl]-1H-pyrimidine-2,4-diamine is CN[C@@H]1CCN(C2=CC(N)(CC(C)(C)C)N=C(N)N2)C1.
What is the InChIKey of 4-(2,2-dimethylpropyl)-6-[(3R)-3-(methylamino)pyrrolidin-1-yl]-1H-pyrimidine-2,4-diamine?
The InChIKey is LZTIASBKLYGOJU-IAPIXIRKSA-N. The full InChI is InChI=1S/C14H28N6/c1-13(2,3)9-14(16)7-11(18-12(15)19-14)20-6-5-10(8-20)17-4/h7,10,17H,5-6,8-9,16H2,1-4H3,(H3,15,18,19)/t10-,14?/m1/s1.
What are the key properties of 4-(2,2-dimethylpropyl)-6-[(3R)-3-(methylamino)pyrrolidin-1-yl]-1H-pyrimidine-2,4-diamine?
4-(2,2-dimethylpropyl)-6-[(3R)-3-(methylamino)pyrrolidin-1-yl]-1H-pyrimidine-2,4-diamine has a molecular weight of 280.42 g/mol, XLogP of 0.13, 3 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,2-dimethylpropyl)-6-[(3R)-3-(methylamino)pyrrolidin-1-yl]-1H-pyrimidine-2,4-diamine is sourced from PubChem (CID 151029507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).