ethane;propane;4-pyrrolidin-1-ylpyrimidine

C13H25N3 — CID 156866865

IUPACethane;propane;4-pyrrolidin-1-ylpyrimidine
SMILESCC.CCC.c1cc(N2CCCC2)ncn1
InChIInChI=1S/C8H11N3.C3H8.C2H6/c1-2-6-11(5-1)8-3-4-9-7-10-8;1-3-2;1-2/h3-4,7H,1-2,5-6H2;3H2,1-2H3;1-2H3
InChIKeyVVTPVGFFUIPTQN-UHFFFAOYSA-N
MW223.36 g/mol
LogP3.52
Rot. Bonds1

About ethane;propane;4-pyrrolidin-1-ylpyrimidine

ethane;propane;4-pyrrolidin-1-ylpyrimidine (PubChem CID 156866865) has the molecular formula C13H25N3 and a molecular weight of 223.36 g/mol. Its IUPAC name is ethane;propane;4-pyrrolidin-1-ylpyrimidine.

Molecular Properties

Compound Nameethane;propane;4-pyrrolidin-1-ylpyrimidine
PubChem CID156866865
Molecular FormulaC13H25N3
Molecular Weight223.36 g/mol
Exact Mass223.20
IUPAC Nameethane;propane;4-pyrrolidin-1-ylpyrimidine
SMILESCC.CCC.c1cc(N2CCCC2)ncn1
InChIInChI=1S/C8H11N3.C3H8.C2H6/c1-2-6-11(5-1)8-3-4-9-7-10-8;1-3-2;1-2/h3-4,7H,1-2,5-6H2;3H2,1-2H3;1-2H3
InChIKeyVVTPVGFFUIPTQN-UHFFFAOYSA-N
XLogP3.52
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.36
LogP ≤ 53.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-ethyl-1-pyrimidin-4-ylpiperidin-3-amine
CID 78945406
4-[(3S)-3-ethylpyrrolidin-1-yl]pyrimidine
CID 163491311
4-(4-methoxypiperidin-1-yl)pyrimidine
CID 140584286
4-(3-tert-butylpiperidin-1-yl)pyrimidine
CID 58394793
N-methyl-1-(1-pyrimidin-4-ylpiperidin-4-yl)ethanamine
CID 63854224
4-[4-(2-chloroethyl)piperidin-1-yl]pyrimidine
CID 131015455
1-[(4-pyrimidin-4-ylpiperazin-1-yl)methyl]cyclohexan-1-ol
CID 163354464
3-tert-butyl-6-(4-pyrimidin-4-ylpiperazin-1-yl)pyridazine
CID 139023230
4-[4-[(4-bromophenyl)methyl]piperazin-1-yl]pyrimidine
CID 155800347
1-pyrimidin-4-ylpyrrolidine-3,4-diamine
CID 90427993
N-[(4-fluoro-1-pyrimidin-4-ylpiperidin-4-yl)methyl]cyclopropanecarboxamide
CID 165431964
4-[4-(4-tert-butylphenyl)piperidin-1-yl]pyrimidine
CID 166360323

Frequently Asked Questions

What is the IUPAC name of ethane;propane;4-pyrrolidin-1-ylpyrimidine?
The IUPAC name of ethane;propane;4-pyrrolidin-1-ylpyrimidine (CID 156866865) is ethane;propane;4-pyrrolidin-1-ylpyrimidine.
What is the SMILES notation for ethane;propane;4-pyrrolidin-1-ylpyrimidine?
The canonical SMILES for ethane;propane;4-pyrrolidin-1-ylpyrimidine is CC.CCC.c1cc(N2CCCC2)ncn1.
What is the InChIKey of ethane;propane;4-pyrrolidin-1-ylpyrimidine?
The InChIKey is VVTPVGFFUIPTQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N3.C3H8.C2H6/c1-2-6-11(5-1)8-3-4-9-7-10-8;1-3-2;1-2/h3-4,7H,1-2,5-6H2;3H2,1-2H3;1-2H3.
What are the key properties of ethane;propane;4-pyrrolidin-1-ylpyrimidine?
ethane;propane;4-pyrrolidin-1-ylpyrimidine has a molecular weight of 223.36 g/mol, XLogP of 3.52, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;propane;4-pyrrolidin-1-ylpyrimidine is sourced from PubChem (CID 156866865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).