6-[(3R)-3-(methylamino)pyrrolidin-1-yl]-4-N-propan-2-ylpyrimidine-2,4-diamine

C12H22N6 — CID 54584824

IUPAC6-[(3R)-3-(methylamino)pyrrolidin-1-yl]-4-N-propan-2-ylpyrimidine-2,4-diamine
SMILESCN[C@@H]1CCN(c2cc(NC(C)C)nc(N)n2)C1
InChIInChI=1S/C12H22N6/c1-8(2)15-10-6-11(17-12(13)16-10)18-5-4-9(7-18)14-3/h6,8-9,14H,4-5,7H2,1-3H3,(H3,13,15,16,17)/t9-/m1/s1
InChIKeyXOJGZLKPRQBGOK-SECBINFHSA-N
MW250.35 g/mol
LogP0.68
Rot. Bonds4

About 6-[(3R)-3-(methylamino)pyrrolidin-1-yl]-4-N-propan-2-ylpyrimidine-2,4-diamine

6-[(3R)-3-(methylamino)pyrrolidin-1-yl]-4-N-propan-2-ylpyrimidine-2,4-diamine (PubChem CID 54584824) has the molecular formula C12H22N6 and a molecular weight of 250.35 g/mol. Its IUPAC name is 6-[(3R)-3-(methylamino)pyrrolidin-1-yl]-4-N-propan-2-ylpyrimidine-2,4-diamine.

Molecular Properties

Compound Name6-[(3R)-3-(methylamino)pyrrolidin-1-yl]-4-N-propan-2-ylpyrimidine-2,4-diamine
PubChem CID54584824
Molecular FormulaC12H22N6
Molecular Weight250.35 g/mol
Exact Mass250.19
IUPAC Name6-[(3R)-3-(methylamino)pyrrolidin-1-yl]-4-N-propan-2-ylpyrimidine-2,4-diamine
SMILESCN[C@@H]1CCN(c2cc(NC(C)C)nc(N)n2)C1
InChIInChI=1S/C12H22N6/c1-8(2)15-10-6-11(17-12(13)16-10)18-5-4-9(7-18)14-3/h6,8-9,14H,4-5,7H2,1-3H3,(H3,13,15,16,17)/t9-/m1/s1
InChIKeyXOJGZLKPRQBGOK-SECBINFHSA-N
XLogP0.68
TPSA79.10 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.35
LogP ≤ 50.68
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-[(3R)-3-(methylamino)pyrrolidin-1-yl]-4-N-propan-2-ylpyrimidine-2,4-diamine?
The IUPAC name of 6-[(3R)-3-(methylamino)pyrrolidin-1-yl]-4-N-propan-2-ylpyrimidine-2,4-diamine (CID 54584824) is 6-[(3R)-3-(methylamino)pyrrolidin-1-yl]-4-N-propan-2-ylpyrimidine-2,4-diamine.
What is the SMILES notation for 6-[(3R)-3-(methylamino)pyrrolidin-1-yl]-4-N-propan-2-ylpyrimidine-2,4-diamine?
The canonical SMILES for 6-[(3R)-3-(methylamino)pyrrolidin-1-yl]-4-N-propan-2-ylpyrimidine-2,4-diamine is CN[C@@H]1CCN(c2cc(NC(C)C)nc(N)n2)C1.
What is the InChIKey of 6-[(3R)-3-(methylamino)pyrrolidin-1-yl]-4-N-propan-2-ylpyrimidine-2,4-diamine?
The InChIKey is XOJGZLKPRQBGOK-SECBINFHSA-N. The full InChI is InChI=1S/C12H22N6/c1-8(2)15-10-6-11(17-12(13)16-10)18-5-4-9(7-18)14-3/h6,8-9,14H,4-5,7H2,1-3H3,(H3,13,15,16,17)/t9-/m1/s1.
What are the key properties of 6-[(3R)-3-(methylamino)pyrrolidin-1-yl]-4-N-propan-2-ylpyrimidine-2,4-diamine?
6-[(3R)-3-(methylamino)pyrrolidin-1-yl]-4-N-propan-2-ylpyrimidine-2,4-diamine has a molecular weight of 250.35 g/mol, XLogP of 0.68, 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]-4-N-propan-2-ylpyrimidine-2,4-diamine is sourced from PubChem (CID 54584824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).