(3S)-N-ethyl-3-(6-pyrrolidin-1-ylpyrimidin-4-yl)oxypyrrolidine-1-carboxamide

C15H23N5O2 — CID 95108066

IUPAC(3S)-N-ethyl-3-(6-pyrrolidin-1-ylpyrimidin-4-yl)oxypyrrolidine-1-carboxamide
SMILESCCNC(=O)N1CC[C@H](Oc2cc(N3CCCC3)ncn2)C1
InChIInChI=1S/C15H23N5O2/c1-2-16-15(21)20-8-5-12(10-20)22-14-9-13(17-11-18-14)19-6-3-4-7-19/h9,11-12H,2-8,10H2,1H3,(H,16,21)/t12-/m0/s1
InChIKeyWOLMBFUALCRDRK-LBPRGKRZSA-N
MW305.38 g/mol
LogP1.26
Rot. Bonds4

About (3S)-N-ethyl-3-(6-pyrrolidin-1-ylpyrimidin-4-yl)oxypyrrolidine-1-carboxamide

(3S)-N-ethyl-3-(6-pyrrolidin-1-ylpyrimidin-4-yl)oxypyrrolidine-1-carboxamide (PubChem CID 95108066) has the molecular formula C15H23N5O2 and a molecular weight of 305.38 g/mol. Its IUPAC name is (3S)-N-ethyl-3-(6-pyrrolidin-1-ylpyrimidin-4-yl)oxypyrrolidine-1-carboxamide.

Molecular Properties

Compound Name(3S)-N-ethyl-3-(6-pyrrolidin-1-ylpyrimidin-4-yl)oxypyrrolidine-1-carboxamide
PubChem CID95108066
Molecular FormulaC15H23N5O2
Molecular Weight305.38 g/mol
Exact Mass305.19
IUPAC Name(3S)-N-ethyl-3-(6-pyrrolidin-1-ylpyrimidin-4-yl)oxypyrrolidine-1-carboxamide
SMILESCCNC(=O)N1CC[C@H](Oc2cc(N3CCCC3)ncn2)C1
InChIInChI=1S/C15H23N5O2/c1-2-16-15(21)20-8-5-12(10-20)22-14-9-13(17-11-18-14)19-6-3-4-7-19/h9,11-12H,2-8,10H2,1H3,(H,16,21)/t12-/m0/s1
InChIKeyWOLMBFUALCRDRK-LBPRGKRZSA-N
XLogP1.26
TPSA70.59 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.38
LogP ≤ 51.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[2-[4-[2-(Dimethylamino)ethoxy]-6-(2-methoxyethylamino)pyrimidin-2-yl]oxyethyl]guanidine;hydrochloride
CID 44577031
2-[3-[4-[2-(Dimethylamino)ethoxy]-6-(2-methoxyethylamino)pyrimidin-2-yl]oxypropyl]guanidine;hydrochloride
CID 44577033
2-[3-[4-[2-(Dimethylamino)ethoxy]-6-(3-propan-2-yloxypropylamino)pyrimidin-2-yl]oxypropyl]guanidine;hydrochloride
CID 44577057
N-(2-methoxyethyl)-2,6-di(propan-2-yloxy)pyrimidin-4-amine
CID 44577415
6-ethoxy-4-N,4-N-dimethyl-2-N-(3-propan-2-yloxypropyl)pyrimidine-2,4-diamine
CID 44577416
2-(2-aminoethoxy)-6-[2-(dimethylamino)ethoxy]-N-(2-methoxyethyl)pyrimidin-4-amine
CID 44577491
2-(3-aminopropoxy)-6-[2-(dimethylamino)ethoxy]-N-(2-methoxyethyl)pyrimidin-4-amine
CID 44577492
2-(3-aminopropoxy)-6-[2-(dimethylamino)ethoxy]-N-(3-propan-2-yloxypropyl)pyrimidin-4-amine
CID 44577493
4-(3-Methoxypropoxy)-6-pyrrolidin-1-ylpyrimidine
CID 172434283
6-(oxolan-3-yloxy)-N-propan-2-ylpyrimidin-4-amine
CID 172434540
4-(Oxolan-3-yloxy)-6-pyrrolidin-1-ylpyrimidine
CID 172434939
N,N-Dimethyl-6-(3-pyrrolidinyloxy)-4-pyrimidinamine
CID 53185902

Frequently Asked Questions

What is the IUPAC name of (3S)-N-ethyl-3-(6-pyrrolidin-1-ylpyrimidin-4-yl)oxypyrrolidine-1-carboxamide?
The IUPAC name of (3S)-N-ethyl-3-(6-pyrrolidin-1-ylpyrimidin-4-yl)oxypyrrolidine-1-carboxamide (CID 95108066) is (3S)-N-ethyl-3-(6-pyrrolidin-1-ylpyrimidin-4-yl)oxypyrrolidine-1-carboxamide.
What is the SMILES notation for (3S)-N-ethyl-3-(6-pyrrolidin-1-ylpyrimidin-4-yl)oxypyrrolidine-1-carboxamide?
The canonical SMILES for (3S)-N-ethyl-3-(6-pyrrolidin-1-ylpyrimidin-4-yl)oxypyrrolidine-1-carboxamide is CCNC(=O)N1CC[C@H](Oc2cc(N3CCCC3)ncn2)C1.
What is the InChIKey of (3S)-N-ethyl-3-(6-pyrrolidin-1-ylpyrimidin-4-yl)oxypyrrolidine-1-carboxamide?
The InChIKey is WOLMBFUALCRDRK-LBPRGKRZSA-N. The full InChI is InChI=1S/C15H23N5O2/c1-2-16-15(21)20-8-5-12(10-20)22-14-9-13(17-11-18-14)19-6-3-4-7-19/h9,11-12H,2-8,10H2,1H3,(H,16,21)/t12-/m0/s1.
What are the key properties of (3S)-N-ethyl-3-(6-pyrrolidin-1-ylpyrimidin-4-yl)oxypyrrolidine-1-carboxamide?
(3S)-N-ethyl-3-(6-pyrrolidin-1-ylpyrimidin-4-yl)oxypyrrolidine-1-carboxamide has a molecular weight of 305.38 g/mol, XLogP of 1.26, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N-ethyl-3-(6-pyrrolidin-1-ylpyrimidin-4-yl)oxypyrrolidine-1-carboxamide is sourced from PubChem (CID 95108066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).