2-[(3R)-3-propan-2-ylpyrrolidin-1-yl]-5-prop-1-en-2-ylpyrimidine

C14H21N3 — CID 170387123

IUPAC2-[(3R)-3-propan-2-ylpyrrolidin-1-yl]-5-prop-1-en-2-ylpyrimidine
SMILESC=C(C)c1cnc(N2CC[C@H](C(C)C)C2)nc1
InChIInChI=1S/C14H21N3/c1-10(2)12-5-6-17(9-12)14-15-7-13(8-16-14)11(3)4/h7-8,10,12H,3,5-6,9H2,1-2,4H3/t12-/m0/s1
InChIKeyAEDHSOCGVGAJBG-LBPRGKRZSA-N
MW231.34 g/mol
LogP2.99
Rot. Bonds3

About 2-[(3R)-3-propan-2-ylpyrrolidin-1-yl]-5-prop-1-en-2-ylpyrimidine

2-[(3R)-3-propan-2-ylpyrrolidin-1-yl]-5-prop-1-en-2-ylpyrimidine (PubChem CID 170387123) has the molecular formula C14H21N3 and a molecular weight of 231.34 g/mol. Its IUPAC name is 2-[(3R)-3-propan-2-ylpyrrolidin-1-yl]-5-prop-1-en-2-ylpyrimidine.

Molecular Properties

Compound Name2-[(3R)-3-propan-2-ylpyrrolidin-1-yl]-5-prop-1-en-2-ylpyrimidine
PubChem CID170387123
Molecular FormulaC14H21N3
Molecular Weight231.34 g/mol
Exact Mass231.17
IUPAC Name2-[(3R)-3-propan-2-ylpyrrolidin-1-yl]-5-prop-1-en-2-ylpyrimidine
SMILESC=C(C)c1cnc(N2CC[C@H](C(C)C)C2)nc1
InChIInChI=1S/C14H21N3/c1-10(2)12-5-6-17(9-12)14-15-7-13(8-16-14)11(3)4/h7-8,10,12H,3,5-6,9H2,1-2,4H3/t12-/m0/s1
InChIKeyAEDHSOCGVGAJBG-LBPRGKRZSA-N
XLogP2.99
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.34
LogP ≤ 52.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[(3R)-3-propan-2-ylpyrrolidin-1-yl]-5-prop-1-en-2-ylpyrimidine?
The IUPAC name of 2-[(3R)-3-propan-2-ylpyrrolidin-1-yl]-5-prop-1-en-2-ylpyrimidine (CID 170387123) is 2-[(3R)-3-propan-2-ylpyrrolidin-1-yl]-5-prop-1-en-2-ylpyrimidine.
What is the SMILES notation for 2-[(3R)-3-propan-2-ylpyrrolidin-1-yl]-5-prop-1-en-2-ylpyrimidine?
The canonical SMILES for 2-[(3R)-3-propan-2-ylpyrrolidin-1-yl]-5-prop-1-en-2-ylpyrimidine is C=C(C)c1cnc(N2CC[C@H](C(C)C)C2)nc1.
What is the InChIKey of 2-[(3R)-3-propan-2-ylpyrrolidin-1-yl]-5-prop-1-en-2-ylpyrimidine?
The InChIKey is AEDHSOCGVGAJBG-LBPRGKRZSA-N. The full InChI is InChI=1S/C14H21N3/c1-10(2)12-5-6-17(9-12)14-15-7-13(8-16-14)11(3)4/h7-8,10,12H,3,5-6,9H2,1-2,4H3/t12-/m0/s1.
What are the key properties of 2-[(3R)-3-propan-2-ylpyrrolidin-1-yl]-5-prop-1-en-2-ylpyrimidine?
2-[(3R)-3-propan-2-ylpyrrolidin-1-yl]-5-prop-1-en-2-ylpyrimidine has a molecular weight of 231.34 g/mol, XLogP of 2.99, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3R)-3-propan-2-ylpyrrolidin-1-yl]-5-prop-1-en-2-ylpyrimidine is sourced from PubChem (CID 170387123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).