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

C14H26N6 — CID 150290396

IUPAC4-(cyclopropylmethyl)-5-methyl-6-[(3R)-3-(methylamino)pyrrolidin-1-yl]-1H-pyrimidine-2,4-diamine
SMILESCN[C@@H]1CCN(C2=C(C)C(N)(CC3CC3)N=C(N)N2)C1
InChIInChI=1S/C14H26N6/c1-9-12(20-6-5-11(8-20)17-2)18-13(15)19-14(9,16)7-10-3-4-10/h10-11,17H,3-8,16H2,1-2H3,(H3,15,18,19)/t11-,14?/m1/s1
InChIKeyGHLWJSUTOXFDRR-YNODCEANSA-N
MW278.40 g/mol
LogP-0.12
Rot. Bonds4

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

4-(cyclopropylmethyl)-5-methyl-6-[(3R)-3-(methylamino)pyrrolidin-1-yl]-1H-pyrimidine-2,4-diamine (PubChem CID 150290396) has the molecular formula C14H26N6 and a molecular weight of 278.40 g/mol. Its IUPAC name is 4-(cyclopropylmethyl)-5-methyl-6-[(3R)-3-(methylamino)pyrrolidin-1-yl]-1H-pyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-(cyclopropylmethyl)-5-methyl-6-[(3R)-3-(methylamino)pyrrolidin-1-yl]-1H-pyrimidine-2,4-diamine
PubChem CID150290396
Molecular FormulaC14H26N6
Molecular Weight278.40 g/mol
Exact Mass278.22
IUPAC Name4-(cyclopropylmethyl)-5-methyl-6-[(3R)-3-(methylamino)pyrrolidin-1-yl]-1H-pyrimidine-2,4-diamine
SMILESCN[C@@H]1CCN(C2=C(C)C(N)(CC3CC3)N=C(N)N2)C1
InChIInChI=1S/C14H26N6/c1-9-12(20-6-5-11(8-20)17-2)18-13(15)19-14(9,16)7-10-3-4-10/h10-11,17H,3-8,16H2,1-2H3,(H3,15,18,19)/t11-,14?/m1/s1
InChIKeyGHLWJSUTOXFDRR-YNODCEANSA-N
XLogP-0.12
TPSA91.70 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.40
LogP ≤ 5-0.12
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-(cyclopropylmethyl)-5-methyl-6-[(3R)-3-(methylamino)pyrrolidin-1-yl]-1H-pyrimidine-2,4-diamine?
The IUPAC name of 4-(cyclopropylmethyl)-5-methyl-6-[(3R)-3-(methylamino)pyrrolidin-1-yl]-1H-pyrimidine-2,4-diamine (CID 150290396) is 4-(cyclopropylmethyl)-5-methyl-6-[(3R)-3-(methylamino)pyrrolidin-1-yl]-1H-pyrimidine-2,4-diamine.
What is the SMILES notation for 4-(cyclopropylmethyl)-5-methyl-6-[(3R)-3-(methylamino)pyrrolidin-1-yl]-1H-pyrimidine-2,4-diamine?
The canonical SMILES for 4-(cyclopropylmethyl)-5-methyl-6-[(3R)-3-(methylamino)pyrrolidin-1-yl]-1H-pyrimidine-2,4-diamine is CN[C@@H]1CCN(C2=C(C)C(N)(CC3CC3)N=C(N)N2)C1.
What is the InChIKey of 4-(cyclopropylmethyl)-5-methyl-6-[(3R)-3-(methylamino)pyrrolidin-1-yl]-1H-pyrimidine-2,4-diamine?
The InChIKey is GHLWJSUTOXFDRR-YNODCEANSA-N. The full InChI is InChI=1S/C14H26N6/c1-9-12(20-6-5-11(8-20)17-2)18-13(15)19-14(9,16)7-10-3-4-10/h10-11,17H,3-8,16H2,1-2H3,(H3,15,18,19)/t11-,14?/m1/s1.
What are the key properties of 4-(cyclopropylmethyl)-5-methyl-6-[(3R)-3-(methylamino)pyrrolidin-1-yl]-1H-pyrimidine-2,4-diamine?
4-(cyclopropylmethyl)-5-methyl-6-[(3R)-3-(methylamino)pyrrolidin-1-yl]-1H-pyrimidine-2,4-diamine has a molecular weight of 278.40 g/mol, XLogP of -0.12, 4 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(cyclopropylmethyl)-5-methyl-6-[(3R)-3-(methylamino)pyrrolidin-1-yl]-1H-pyrimidine-2,4-diamine is sourced from PubChem (CID 150290396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).