(2S)-N-cyclopropyl-1-[6-(cyclopropylmethylamino)pyrimidin-4-yl]pyrrolidine-2-carboxamide

C16H23N5O — CID 99636682

IUPAC(2S)-N-cyclopropyl-1-[6-(cyclopropylmethylamino)pyrimidin-4-yl]pyrrolidine-2-carboxamide
SMILESO=C(NC1CC1)[C@@H]1CCCN1c1cc(NCC2CC2)ncn1
InChIInChI=1S/C16H23N5O/c22-16(20-12-5-6-12)13-2-1-7-21(13)15-8-14(18-10-19-15)17-9-11-3-4-11/h8,10-13H,1-7,9H2,(H,20,22)(H,17,18,19)/t13-/m0/s1
InChIKeyOIIOAFQMXRVKDO-ZDUSSCGKSA-N
MW301.39 g/mol
LogP1.55
Rot. Bonds6

About (2S)-N-cyclopropyl-1-[6-(cyclopropylmethylamino)pyrimidin-4-yl]pyrrolidine-2-carboxamide

(2S)-N-cyclopropyl-1-[6-(cyclopropylmethylamino)pyrimidin-4-yl]pyrrolidine-2-carboxamide (PubChem CID 99636682) has the molecular formula C16H23N5O and a molecular weight of 301.39 g/mol. Its IUPAC name is (2S)-N-cyclopropyl-1-[6-(cyclopropylmethylamino)pyrimidin-4-yl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2S)-N-cyclopropyl-1-[6-(cyclopropylmethylamino)pyrimidin-4-yl]pyrrolidine-2-carboxamide
PubChem CID99636682
Molecular FormulaC16H23N5O
Molecular Weight301.39 g/mol
Exact Mass301.19
IUPAC Name(2S)-N-cyclopropyl-1-[6-(cyclopropylmethylamino)pyrimidin-4-yl]pyrrolidine-2-carboxamide
SMILESO=C(NC1CC1)[C@@H]1CCCN1c1cc(NCC2CC2)ncn1
InChIInChI=1S/C16H23N5O/c22-16(20-12-5-6-12)13-2-1-7-21(13)15-8-14(18-10-19-15)17-9-11-3-4-11/h8,10-13H,1-7,9H2,(H,20,22)(H,17,18,19)/t13-/m0/s1
InChIKeyOIIOAFQMXRVKDO-ZDUSSCGKSA-N
XLogP1.55
TPSA70.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.39
LogP ≤ 51.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2S)-N-cyclopropyl-1-[6-(cyclopropylmethylamino)pyrimidin-4-yl]pyrrolidine-2-carboxamide?
The IUPAC name of (2S)-N-cyclopropyl-1-[6-(cyclopropylmethylamino)pyrimidin-4-yl]pyrrolidine-2-carboxamide (CID 99636682) is (2S)-N-cyclopropyl-1-[6-(cyclopropylmethylamino)pyrimidin-4-yl]pyrrolidine-2-carboxamide.
What is the SMILES notation for (2S)-N-cyclopropyl-1-[6-(cyclopropylmethylamino)pyrimidin-4-yl]pyrrolidine-2-carboxamide?
The canonical SMILES for (2S)-N-cyclopropyl-1-[6-(cyclopropylmethylamino)pyrimidin-4-yl]pyrrolidine-2-carboxamide is O=C(NC1CC1)[C@@H]1CCCN1c1cc(NCC2CC2)ncn1.
What is the InChIKey of (2S)-N-cyclopropyl-1-[6-(cyclopropylmethylamino)pyrimidin-4-yl]pyrrolidine-2-carboxamide?
The InChIKey is OIIOAFQMXRVKDO-ZDUSSCGKSA-N. The full InChI is InChI=1S/C16H23N5O/c22-16(20-12-5-6-12)13-2-1-7-21(13)15-8-14(18-10-19-15)17-9-11-3-4-11/h8,10-13H,1-7,9H2,(H,20,22)(H,17,18,19)/t13-/m0/s1.
What are the key properties of (2S)-N-cyclopropyl-1-[6-(cyclopropylmethylamino)pyrimidin-4-yl]pyrrolidine-2-carboxamide?
(2S)-N-cyclopropyl-1-[6-(cyclopropylmethylamino)pyrimidin-4-yl]pyrrolidine-2-carboxamide has a molecular weight of 301.39 g/mol, XLogP of 1.55, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-cyclopropyl-1-[6-(cyclopropylmethylamino)pyrimidin-4-yl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 99636682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).