4-propan-2-yloxy-6-[4-[(3S)-pyrrolidin-3-yl]piperazin-1-yl]pyrimidine

C15H25N5O — CID 171359572

IUPAC4-propan-2-yloxy-6-[4-[(3S)-pyrrolidin-3-yl]piperazin-1-yl]pyrimidine
SMILESCC(C)Oc1cc(N2CCN([C@H]3CCNC3)CC2)ncn1
InChIInChI=1S/C15H25N5O/c1-12(2)21-15-9-14(17-11-18-15)20-7-5-19(6-8-20)13-3-4-16-10-13/h9,11-13,16H,3-8,10H2,1-2H3/t13-/m0/s1
InChIKeyXBPQKPCWDIYXOM-ZDUSSCGKSA-N
MW291.40 g/mol
LogP0.75
Rot. Bonds4

About 4-propan-2-yloxy-6-[4-[(3S)-pyrrolidin-3-yl]piperazin-1-yl]pyrimidine

4-propan-2-yloxy-6-[4-[(3S)-pyrrolidin-3-yl]piperazin-1-yl]pyrimidine (PubChem CID 171359572) has the molecular formula C15H25N5O and a molecular weight of 291.40 g/mol. Its IUPAC name is 4-propan-2-yloxy-6-[4-[(3S)-pyrrolidin-3-yl]piperazin-1-yl]pyrimidine.

Molecular Properties

Compound Name4-propan-2-yloxy-6-[4-[(3S)-pyrrolidin-3-yl]piperazin-1-yl]pyrimidine
PubChem CID171359572
Molecular FormulaC15H25N5O
Molecular Weight291.40 g/mol
Exact Mass291.21
IUPAC Name4-propan-2-yloxy-6-[4-[(3S)-pyrrolidin-3-yl]piperazin-1-yl]pyrimidine
SMILESCC(C)Oc1cc(N2CCN([C@H]3CCNC3)CC2)ncn1
InChIInChI=1S/C15H25N5O/c1-12(2)21-15-9-14(17-11-18-15)20-7-5-19(6-8-20)13-3-4-16-10-13/h9,11-13,16H,3-8,10H2,1-2H3/t13-/m0/s1
InChIKeyXBPQKPCWDIYXOM-ZDUSSCGKSA-N
XLogP0.75
TPSA53.52 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.40
LogP ≤ 50.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-Methoxy-6-(piperazin-1-yl)pyrimidine
CID 45789017
4-Ethoxy-2-(piperazin-1-yl)pyrimidine
CID 17855548
6-ethoxy-4-N,4-N-dimethyl-2-N-(3-propan-2-yloxypropyl)pyrimidine-2,4-diamine
CID 44577416
4-[(2R*,6S*)-2,6-dimethylmorpholin-4-yl]-6-isopropoxypyrimidin-2-amine
CID 50972422
4-[(3R*,4S*)-3-amino-4-cyclopropyl-1-pyrrolidinyl]-6-isopropoxy-2-pyrimidinamine
CID 72867958
6-(2-methylsulfanylethoxy)-N-propan-2-ylpyrimidin-4-amine
CID 172434025
4-(3-Methoxypropoxy)-6-pyrrolidin-1-ylpyrimidine
CID 172434283
6-(oxolan-3-yloxy)-N-propan-2-ylpyrimidin-4-amine
CID 172434540
6-(3-methoxypropoxy)-N-propan-2-ylpyrimidin-4-amine
CID 172434840
6-(1-methylpiperidin-4-yl)oxy-N-propan-2-ylpyrimidin-4-amine
CID 172438673
N,N-Dimethyl-6-(3-pyrrolidinyloxy)-4-pyrimidinamine
CID 53185902
4-(Piperidin-1-yl)-6-(pyrrolidin-3-yloxy)pyrimidine
CID 53185904

Frequently Asked Questions

What is the IUPAC name of 4-propan-2-yloxy-6-[4-[(3S)-pyrrolidin-3-yl]piperazin-1-yl]pyrimidine?
The IUPAC name of 4-propan-2-yloxy-6-[4-[(3S)-pyrrolidin-3-yl]piperazin-1-yl]pyrimidine (CID 171359572) is 4-propan-2-yloxy-6-[4-[(3S)-pyrrolidin-3-yl]piperazin-1-yl]pyrimidine.
What is the SMILES notation for 4-propan-2-yloxy-6-[4-[(3S)-pyrrolidin-3-yl]piperazin-1-yl]pyrimidine?
The canonical SMILES for 4-propan-2-yloxy-6-[4-[(3S)-pyrrolidin-3-yl]piperazin-1-yl]pyrimidine is CC(C)Oc1cc(N2CCN([C@H]3CCNC3)CC2)ncn1.
What is the InChIKey of 4-propan-2-yloxy-6-[4-[(3S)-pyrrolidin-3-yl]piperazin-1-yl]pyrimidine?
The InChIKey is XBPQKPCWDIYXOM-ZDUSSCGKSA-N. The full InChI is InChI=1S/C15H25N5O/c1-12(2)21-15-9-14(17-11-18-15)20-7-5-19(6-8-20)13-3-4-16-10-13/h9,11-13,16H,3-8,10H2,1-2H3/t13-/m0/s1.
What are the key properties of 4-propan-2-yloxy-6-[4-[(3S)-pyrrolidin-3-yl]piperazin-1-yl]pyrimidine?
4-propan-2-yloxy-6-[4-[(3S)-pyrrolidin-3-yl]piperazin-1-yl]pyrimidine has a molecular weight of 291.40 g/mol, XLogP of 0.75, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-propan-2-yloxy-6-[4-[(3S)-pyrrolidin-3-yl]piperazin-1-yl]pyrimidine is sourced from PubChem (CID 171359572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).