N-but-3-en-2-yl-5,5-dimethyl-4,6-dihydro-1H-pyrimidin-2-amine

C10H19N3 — CID 130513080

IUPACN-but-3-en-2-yl-5,5-dimethyl-4,6-dihydro-1H-pyrimidin-2-amine
SMILESC=CC(C)NC1=NCC(C)(C)CN1
InChIInChI=1S/C10H19N3/c1-5-8(2)13-9-11-6-10(3,4)7-12-9/h5,8H,1,6-7H2,2-4H3,(H2,11,12,13)
InChIKeyNUYCZQTXZWRTNT-UHFFFAOYSA-N
MW181.28 g/mol
LogP1.14
Rot. Bonds2

About N-but-3-en-2-yl-5,5-dimethyl-4,6-dihydro-1H-pyrimidin-2-amine

N-but-3-en-2-yl-5,5-dimethyl-4,6-dihydro-1H-pyrimidin-2-amine (PubChem CID 130513080) has the molecular formula C10H19N3 and a molecular weight of 181.28 g/mol. Its IUPAC name is N-but-3-en-2-yl-5,5-dimethyl-4,6-dihydro-1H-pyrimidin-2-amine.

Molecular Properties

Compound NameN-but-3-en-2-yl-5,5-dimethyl-4,6-dihydro-1H-pyrimidin-2-amine
PubChem CID130513080
Molecular FormulaC10H19N3
Molecular Weight181.28 g/mol
Exact Mass181.16
IUPAC NameN-but-3-en-2-yl-5,5-dimethyl-4,6-dihydro-1H-pyrimidin-2-amine
SMILESC=CC(C)NC1=NCC(C)(C)CN1
InChIInChI=1S/C10H19N3/c1-5-8(2)13-9-11-6-10(3,4)7-12-9/h5,8H,1,6-7H2,2-4H3,(H2,11,12,13)
InChIKeyNUYCZQTXZWRTNT-UHFFFAOYSA-N
XLogP1.14
TPSA36.42 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.28
LogP ≤ 51.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

1,3-Di(propan-2-yl)-2-prop-2-enylguanidine
CID 59816768
[Dimethylamino-(hexa-1,5-dien-3-ylamino)methylidene]-dimethylazanium bromide
CID 177251619
1-[3-(Dimethylamino)-2,2-dimethylpropyl]-2-methyl-3-prop-2-enylguanidine
CID 110981507
2-[3-(Dimethylamino)-2,2-dimethylpropyl]-1-ethyl-3-prop-2-enylguanidine
CID 110981509
2-Ethyl-1-pent-4-en-2-ylguanidine
CID 115769273
2-But-3-enyl-1-propan-2-ylguanidine
CID 116035409
1-Pent-4-en-2-yl-2-propylguanidine
CID 116041172
2-(2-Methylpropyl)-1-pent-4-en-2-ylguanidine
CID 116041174
2-But-3-en-2-yl-1-propan-2-ylguanidine
CID 116147352
1-But-3-en-2-yl-2-propylguanidine
CID 116147359
1-But-3-en-2-yl-2-(2-methylpropyl)guanidine
CID 116147362
N-cyclopent-3-en-1-yl-5,5-dimethyl-4,6-dihydro-1H-pyrimidin-2-amine
CID 126977134

Frequently Asked Questions

What is the IUPAC name of N-but-3-en-2-yl-5,5-dimethyl-4,6-dihydro-1H-pyrimidin-2-amine?
The IUPAC name of N-but-3-en-2-yl-5,5-dimethyl-4,6-dihydro-1H-pyrimidin-2-amine (CID 130513080) is N-but-3-en-2-yl-5,5-dimethyl-4,6-dihydro-1H-pyrimidin-2-amine.
What is the SMILES notation for N-but-3-en-2-yl-5,5-dimethyl-4,6-dihydro-1H-pyrimidin-2-amine?
The canonical SMILES for N-but-3-en-2-yl-5,5-dimethyl-4,6-dihydro-1H-pyrimidin-2-amine is C=CC(C)NC1=NCC(C)(C)CN1.
What is the InChIKey of N-but-3-en-2-yl-5,5-dimethyl-4,6-dihydro-1H-pyrimidin-2-amine?
The InChIKey is NUYCZQTXZWRTNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N3/c1-5-8(2)13-9-11-6-10(3,4)7-12-9/h5,8H,1,6-7H2,2-4H3,(H2,11,12,13).
What are the key properties of N-but-3-en-2-yl-5,5-dimethyl-4,6-dihydro-1H-pyrimidin-2-amine?
N-but-3-en-2-yl-5,5-dimethyl-4,6-dihydro-1H-pyrimidin-2-amine has a molecular weight of 181.28 g/mol, XLogP of 1.14, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-but-3-en-2-yl-5,5-dimethyl-4,6-dihydro-1H-pyrimidin-2-amine is sourced from PubChem (CID 130513080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).