4-benzyl-6-[(3R)-3-(methylamino)pyrrolidin-1-yl]pyrimidin-2-amine

C16H21N5 — CID 59777262

IUPAC4-benzyl-6-[(3R)-3-(methylamino)pyrrolidin-1-yl]pyrimidin-2-amine
SMILESCN[C@@H]1CCN(c2cc(Cc3ccccc3)nc(N)n2)C1
InChIInChI=1S/C16H21N5/c1-18-13-7-8-21(11-13)15-10-14(19-16(17)20-15)9-12-5-3-2-4-6-12/h2-6,10,13,18H,7-9,11H2,1H3,(H2,17,19,20)/t13-/m1/s1
InChIKeyQYMGHIAMJHEVHC-CYBMUJFWSA-N
MW283.38 g/mol
LogP1.45
Rot. Bonds4

About 4-benzyl-6-[(3R)-3-(methylamino)pyrrolidin-1-yl]pyrimidin-2-amine

4-benzyl-6-[(3R)-3-(methylamino)pyrrolidin-1-yl]pyrimidin-2-amine (PubChem CID 59777262) has the molecular formula C16H21N5 and a molecular weight of 283.38 g/mol. Its IUPAC name is 4-benzyl-6-[(3R)-3-(methylamino)pyrrolidin-1-yl]pyrimidin-2-amine.

Molecular Properties

Compound Name4-benzyl-6-[(3R)-3-(methylamino)pyrrolidin-1-yl]pyrimidin-2-amine
PubChem CID59777262
Molecular FormulaC16H21N5
Molecular Weight283.38 g/mol
Exact Mass283.18
IUPAC Name4-benzyl-6-[(3R)-3-(methylamino)pyrrolidin-1-yl]pyrimidin-2-amine
SMILESCN[C@@H]1CCN(c2cc(Cc3ccccc3)nc(N)n2)C1
InChIInChI=1S/C16H21N5/c1-18-13-7-8-21(11-13)15-10-14(19-16(17)20-15)9-12-5-3-2-4-6-12/h2-6,10,13,18H,7-9,11H2,1H3,(H2,17,19,20)/t13-/m1/s1
InChIKeyQYMGHIAMJHEVHC-CYBMUJFWSA-N
XLogP1.45
TPSA67.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.38
LogP ≤ 51.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-benzyl-6-[(3R)-3-(methylamino)pyrrolidin-1-yl]pyrimidin-2-amine?
The IUPAC name of 4-benzyl-6-[(3R)-3-(methylamino)pyrrolidin-1-yl]pyrimidin-2-amine (CID 59777262) is 4-benzyl-6-[(3R)-3-(methylamino)pyrrolidin-1-yl]pyrimidin-2-amine.
What is the SMILES notation for 4-benzyl-6-[(3R)-3-(methylamino)pyrrolidin-1-yl]pyrimidin-2-amine?
The canonical SMILES for 4-benzyl-6-[(3R)-3-(methylamino)pyrrolidin-1-yl]pyrimidin-2-amine is CN[C@@H]1CCN(c2cc(Cc3ccccc3)nc(N)n2)C1.
What is the InChIKey of 4-benzyl-6-[(3R)-3-(methylamino)pyrrolidin-1-yl]pyrimidin-2-amine?
The InChIKey is QYMGHIAMJHEVHC-CYBMUJFWSA-N. The full InChI is InChI=1S/C16H21N5/c1-18-13-7-8-21(11-13)15-10-14(19-16(17)20-15)9-12-5-3-2-4-6-12/h2-6,10,13,18H,7-9,11H2,1H3,(H2,17,19,20)/t13-/m1/s1.
What are the key properties of 4-benzyl-6-[(3R)-3-(methylamino)pyrrolidin-1-yl]pyrimidin-2-amine?
4-benzyl-6-[(3R)-3-(methylamino)pyrrolidin-1-yl]pyrimidin-2-amine has a molecular weight of 283.38 g/mol, XLogP of 1.45, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-benzyl-6-[(3R)-3-(methylamino)pyrrolidin-1-yl]pyrimidin-2-amine is sourced from PubChem (CID 59777262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).