1-butyl-2-propan-2-yl-5,6-dihydro-4H-pyrimidine

C11H22N2 — CID 15085002

IUPAC1-butyl-2-propan-2-yl-5,6-dihydro-4H-pyrimidine
SMILESCCCCN1CCCN=C1C(C)C
InChIInChI=1S/C11H22N2/c1-4-5-8-13-9-6-7-12-11(13)10(2)3/h10H,4-9H2,1-3H3
InChIKeyIFFOAQRVOWBTKH-UHFFFAOYSA-N
MW182.31 g/mol
LogP2.55
Rot. Bonds4

About 1-butyl-2-propan-2-yl-5,6-dihydro-4H-pyrimidine

1-butyl-2-propan-2-yl-5,6-dihydro-4H-pyrimidine (PubChem CID 15085002) has the molecular formula C11H22N2 and a molecular weight of 182.31 g/mol. Its IUPAC name is 1-butyl-2-propan-2-yl-5,6-dihydro-4H-pyrimidine.

Molecular Properties

Compound Name1-butyl-2-propan-2-yl-5,6-dihydro-4H-pyrimidine
PubChem CID15085002
Molecular FormulaC11H22N2
Molecular Weight182.31 g/mol
Exact Mass182.18
IUPAC Name1-butyl-2-propan-2-yl-5,6-dihydro-4H-pyrimidine
SMILESCCCCN1CCCN=C1C(C)C
InChIInChI=1S/C11H22N2/c1-4-5-8-13-9-6-7-12-11(13)10(2)3/h10H,4-9H2,1-3H3
InChIKeyIFFOAQRVOWBTKH-UHFFFAOYSA-N
XLogP2.55
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.31
LogP ≤ 52.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

7-Methyl-2,3,4,6,7,8-hexahydropyrrolo[1,2-a]pyrimidine
CID 66808206
N,N-Dimethyl-N'-propyl-isobutyramidine
CID 525846
N,N-Dimethyl-N'-butyl-isobutyramidine
CID 525896
N,N-Dimethyl-N'-pentyl-isobutyramidine
CID 525910
1-Ethyl-2,3,4,6,7,8,9,10-octahydropyrimido[1,2-a]azepin-5-ium
CID 11232773
N,N-dibutyl-3,4-dihydro-2H-pyrrol-5-amine
CID 11367600
2-methyl-1-propan-2-yl-5,6-dihydro-4H-pyrimidine
CID 12860757
N,N-dibutyl-N'-methylethanimidamide
CID 13042442
N,N-diethyl-N'-methylbutanimidamide
CID 13042448
1-Propyl-2,3,4,6,7,8,9,10-octahydropyrimido[1,2-a]azepin-5-ium
CID 13717936
1-Butyl-2,3,4,6,7,8,9,10-octahydropyrimido[1,2-a]azepin-5-ium
CID 13717938
1-Pentyl-2,3,4,6,7,8,9,10-octahydropyrimido[1,2-a]azepin-5-ium
CID 13717940

Frequently Asked Questions

What is the IUPAC name of 1-butyl-2-propan-2-yl-5,6-dihydro-4H-pyrimidine?
The IUPAC name of 1-butyl-2-propan-2-yl-5,6-dihydro-4H-pyrimidine (CID 15085002) is 1-butyl-2-propan-2-yl-5,6-dihydro-4H-pyrimidine.
What is the SMILES notation for 1-butyl-2-propan-2-yl-5,6-dihydro-4H-pyrimidine?
The canonical SMILES for 1-butyl-2-propan-2-yl-5,6-dihydro-4H-pyrimidine is CCCCN1CCCN=C1C(C)C.
What is the InChIKey of 1-butyl-2-propan-2-yl-5,6-dihydro-4H-pyrimidine?
The InChIKey is IFFOAQRVOWBTKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2/c1-4-5-8-13-9-6-7-12-11(13)10(2)3/h10H,4-9H2,1-3H3.
What are the key properties of 1-butyl-2-propan-2-yl-5,6-dihydro-4H-pyrimidine?
1-butyl-2-propan-2-yl-5,6-dihydro-4H-pyrimidine has a molecular weight of 182.31 g/mol, XLogP of 2.55, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butyl-2-propan-2-yl-5,6-dihydro-4H-pyrimidine is sourced from PubChem (CID 15085002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).