6-[(3R)-3-(methylamino)pyrrolidin-1-yl]-5-(2-methylpropyl)pyrimidine-2,4-diamine

C13H24N6 — CID 66740847

IUPAC6-[(3R)-3-(methylamino)pyrrolidin-1-yl]-5-(2-methylpropyl)pyrimidine-2,4-diamine
SMILESCN[C@@H]1CCN(c2nc(N)nc(N)c2CC(C)C)C1
InChIInChI=1S/C13H24N6/c1-8(2)6-10-11(14)17-13(15)18-12(10)19-5-4-9(7-19)16-3/h8-9,16H,4-7H2,1-3H3,(H4,14,15,17,18)/t9-/m1/s1
InChIKeyKWJFYFMFHYVRLC-SECBINFHSA-N
MW264.38 g/mol
LogP0.64
Rot. Bonds4

About 6-[(3R)-3-(methylamino)pyrrolidin-1-yl]-5-(2-methylpropyl)pyrimidine-2,4-diamine

6-[(3R)-3-(methylamino)pyrrolidin-1-yl]-5-(2-methylpropyl)pyrimidine-2,4-diamine (PubChem CID 66740847) has the molecular formula C13H24N6 and a molecular weight of 264.38 g/mol. Its IUPAC name is 6-[(3R)-3-(methylamino)pyrrolidin-1-yl]-5-(2-methylpropyl)pyrimidine-2,4-diamine.

Molecular Properties

Compound Name6-[(3R)-3-(methylamino)pyrrolidin-1-yl]-5-(2-methylpropyl)pyrimidine-2,4-diamine
PubChem CID66740847
Molecular FormulaC13H24N6
Molecular Weight264.38 g/mol
Exact Mass264.21
IUPAC Name6-[(3R)-3-(methylamino)pyrrolidin-1-yl]-5-(2-methylpropyl)pyrimidine-2,4-diamine
SMILESCN[C@@H]1CCN(c2nc(N)nc(N)c2CC(C)C)C1
InChIInChI=1S/C13H24N6/c1-8(2)6-10-11(14)17-13(15)18-12(10)19-5-4-9(7-19)16-3/h8-9,16H,4-7H2,1-3H3,(H4,14,15,17,18)/t9-/m1/s1
InChIKeyKWJFYFMFHYVRLC-SECBINFHSA-N
XLogP0.64
TPSA93.09 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.38
LogP ≤ 50.64
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

CID 24994950
CID 24994950
CID 127050018
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CID 154815494
CID 154815494
CID 154815495
CID 154815495
CID 97117039
CID 97117039
CID 135100759
CID 135100759
CID 122456400
CID 122456400
CID 80789097
CID 80789097
CID 80789433
CID 80789433
CID 80789792
CID 80789792
CID 80789837
CID 80789837
CID 80790417
CID 80790417

Frequently Asked Questions

What is the IUPAC name of 6-[(3R)-3-(methylamino)pyrrolidin-1-yl]-5-(2-methylpropyl)pyrimidine-2,4-diamine?
The IUPAC name of 6-[(3R)-3-(methylamino)pyrrolidin-1-yl]-5-(2-methylpropyl)pyrimidine-2,4-diamine (CID 66740847) is 6-[(3R)-3-(methylamino)pyrrolidin-1-yl]-5-(2-methylpropyl)pyrimidine-2,4-diamine.
What is the SMILES notation for 6-[(3R)-3-(methylamino)pyrrolidin-1-yl]-5-(2-methylpropyl)pyrimidine-2,4-diamine?
The canonical SMILES for 6-[(3R)-3-(methylamino)pyrrolidin-1-yl]-5-(2-methylpropyl)pyrimidine-2,4-diamine is CN[C@@H]1CCN(c2nc(N)nc(N)c2CC(C)C)C1.
What is the InChIKey of 6-[(3R)-3-(methylamino)pyrrolidin-1-yl]-5-(2-methylpropyl)pyrimidine-2,4-diamine?
The InChIKey is KWJFYFMFHYVRLC-SECBINFHSA-N. The full InChI is InChI=1S/C13H24N6/c1-8(2)6-10-11(14)17-13(15)18-12(10)19-5-4-9(7-19)16-3/h8-9,16H,4-7H2,1-3H3,(H4,14,15,17,18)/t9-/m1/s1.
What are the key properties of 6-[(3R)-3-(methylamino)pyrrolidin-1-yl]-5-(2-methylpropyl)pyrimidine-2,4-diamine?
6-[(3R)-3-(methylamino)pyrrolidin-1-yl]-5-(2-methylpropyl)pyrimidine-2,4-diamine has a molecular weight of 264.38 g/mol, XLogP of 0.64, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(3R)-3-(methylamino)pyrrolidin-1-yl]-5-(2-methylpropyl)pyrimidine-2,4-diamine is sourced from PubChem (CID 66740847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).