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

C13H22N6 — CID 66740349

IUPAC5-(cyclopropylmethyl)-6-[(3R)-3-(methylamino)pyrrolidin-1-yl]pyrimidine-2,4-diamine
SMILESCN[C@@H]1CCN(c2nc(N)nc(N)c2CC2CC2)C1
InChIInChI=1S/C13H22N6/c1-16-9-4-5-19(7-9)12-10(6-8-2-3-8)11(14)17-13(15)18-12/h8-9,16H,2-7H2,1H3,(H4,14,15,17,18)/t9-/m1/s1
InChIKeyJDKIWKGDLPZHBP-SECBINFHSA-N
MW262.36 g/mol
LogP0.39
Rot. Bonds4

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

5-(cyclopropylmethyl)-6-[(3R)-3-(methylamino)pyrrolidin-1-yl]pyrimidine-2,4-diamine (PubChem CID 66740349) has the molecular formula C13H22N6 and a molecular weight of 262.36 g/mol. Its IUPAC name is 5-(cyclopropylmethyl)-6-[(3R)-3-(methylamino)pyrrolidin-1-yl]pyrimidine-2,4-diamine.

Molecular Properties

Compound Name5-(cyclopropylmethyl)-6-[(3R)-3-(methylamino)pyrrolidin-1-yl]pyrimidine-2,4-diamine
PubChem CID66740349
Molecular FormulaC13H22N6
Molecular Weight262.36 g/mol
Exact Mass262.19
IUPAC Name5-(cyclopropylmethyl)-6-[(3R)-3-(methylamino)pyrrolidin-1-yl]pyrimidine-2,4-diamine
SMILESCN[C@@H]1CCN(c2nc(N)nc(N)c2CC2CC2)C1
InChIInChI=1S/C13H22N6/c1-16-9-4-5-19(7-9)12-10(6-8-2-3-8)11(14)17-13(15)18-12/h8-9,16H,2-7H2,1H3,(H4,14,15,17,18)/t9-/m1/s1
InChIKeyJDKIWKGDLPZHBP-SECBINFHSA-N
XLogP0.39
TPSA93.09 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.36
LogP ≤ 50.39
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-(cyclopropylmethyl)-6-[(3R)-3-(methylamino)pyrrolidin-1-yl]pyrimidine-2,4-diamine?
The IUPAC name of 5-(cyclopropylmethyl)-6-[(3R)-3-(methylamino)pyrrolidin-1-yl]pyrimidine-2,4-diamine (CID 66740349) is 5-(cyclopropylmethyl)-6-[(3R)-3-(methylamino)pyrrolidin-1-yl]pyrimidine-2,4-diamine.
What is the SMILES notation for 5-(cyclopropylmethyl)-6-[(3R)-3-(methylamino)pyrrolidin-1-yl]pyrimidine-2,4-diamine?
The canonical SMILES for 5-(cyclopropylmethyl)-6-[(3R)-3-(methylamino)pyrrolidin-1-yl]pyrimidine-2,4-diamine is CN[C@@H]1CCN(c2nc(N)nc(N)c2CC2CC2)C1.
What is the InChIKey of 5-(cyclopropylmethyl)-6-[(3R)-3-(methylamino)pyrrolidin-1-yl]pyrimidine-2,4-diamine?
The InChIKey is JDKIWKGDLPZHBP-SECBINFHSA-N. The full InChI is InChI=1S/C13H22N6/c1-16-9-4-5-19(7-9)12-10(6-8-2-3-8)11(14)17-13(15)18-12/h8-9,16H,2-7H2,1H3,(H4,14,15,17,18)/t9-/m1/s1.
What are the key properties of 5-(cyclopropylmethyl)-6-[(3R)-3-(methylamino)pyrrolidin-1-yl]pyrimidine-2,4-diamine?
5-(cyclopropylmethyl)-6-[(3R)-3-(methylamino)pyrrolidin-1-yl]pyrimidine-2,4-diamine has a molecular weight of 262.36 g/mol, XLogP of 0.39, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(cyclopropylmethyl)-6-[(3R)-3-(methylamino)pyrrolidin-1-yl]pyrimidine-2,4-diamine is sourced from PubChem (CID 66740349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).