(Z)-4,4-dimethyl-3-[(Z)-prop-1-enyl]imino-1-pyrimidin-2-ylpent-1-en-1-amine

C14H20N4 — CID 170033344

IUPAC(Z)-4,4-dimethyl-3-[(Z)-prop-1-enyl]imino-1-pyrimidin-2-ylpent-1-en-1-amine
SMILESC/C=C\N=C(\C=C(/N)c1ncccn1)C(C)(C)C
InChIInChI=1S/C14H20N4/c1-5-7-16-12(14(2,3)4)10-11(15)13-17-8-6-9-18-13/h5-10H,15H2,1-4H3/b7-5-,11-10-,16-12-
InChIKeyITGHWYKATDAODA-ZVZCBUTFSA-N
MW244.34 g/mol
LogP2.80
Rot. Bonds3

About (Z)-4,4-dimethyl-3-[(Z)-prop-1-enyl]imino-1-pyrimidin-2-ylpent-1-en-1-amine

(Z)-4,4-dimethyl-3-[(Z)-prop-1-enyl]imino-1-pyrimidin-2-ylpent-1-en-1-amine (PubChem CID 170033344) has the molecular formula C14H20N4 and a molecular weight of 244.34 g/mol. Its IUPAC name is (Z)-4,4-dimethyl-3-[(Z)-prop-1-enyl]imino-1-pyrimidin-2-ylpent-1-en-1-amine.

Molecular Properties

Compound Name(Z)-4,4-dimethyl-3-[(Z)-prop-1-enyl]imino-1-pyrimidin-2-ylpent-1-en-1-amine
PubChem CID170033344
Molecular FormulaC14H20N4
Molecular Weight244.34 g/mol
Exact Mass244.17
IUPAC Name(Z)-4,4-dimethyl-3-[(Z)-prop-1-enyl]imino-1-pyrimidin-2-ylpent-1-en-1-amine
SMILESC/C=C\N=C(\C=C(/N)c1ncccn1)C(C)(C)C
InChIInChI=1S/C14H20N4/c1-5-7-16-12(14(2,3)4)10-11(15)13-17-8-6-9-18-13/h5-10H,15H2,1-4H3/b7-5-,11-10-,16-12-
InChIKeyITGHWYKATDAODA-ZVZCBUTFSA-N
XLogP2.80
TPSA64.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.34
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (Z)-4,4-dimethyl-3-[(Z)-prop-1-enyl]imino-1-pyrimidin-2-ylpent-1-en-1-amine?
The IUPAC name of (Z)-4,4-dimethyl-3-[(Z)-prop-1-enyl]imino-1-pyrimidin-2-ylpent-1-en-1-amine (CID 170033344) is (Z)-4,4-dimethyl-3-[(Z)-prop-1-enyl]imino-1-pyrimidin-2-ylpent-1-en-1-amine.
What is the SMILES notation for (Z)-4,4-dimethyl-3-[(Z)-prop-1-enyl]imino-1-pyrimidin-2-ylpent-1-en-1-amine?
The canonical SMILES for (Z)-4,4-dimethyl-3-[(Z)-prop-1-enyl]imino-1-pyrimidin-2-ylpent-1-en-1-amine is C/C=C\N=C(\C=C(/N)c1ncccn1)C(C)(C)C.
What is the InChIKey of (Z)-4,4-dimethyl-3-[(Z)-prop-1-enyl]imino-1-pyrimidin-2-ylpent-1-en-1-amine?
The InChIKey is ITGHWYKATDAODA-ZVZCBUTFSA-N. The full InChI is InChI=1S/C14H20N4/c1-5-7-16-12(14(2,3)4)10-11(15)13-17-8-6-9-18-13/h5-10H,15H2,1-4H3/b7-5-,11-10-,16-12-.
What are the key properties of (Z)-4,4-dimethyl-3-[(Z)-prop-1-enyl]imino-1-pyrimidin-2-ylpent-1-en-1-amine?
(Z)-4,4-dimethyl-3-[(Z)-prop-1-enyl]imino-1-pyrimidin-2-ylpent-1-en-1-amine has a molecular weight of 244.34 g/mol, XLogP of 2.80, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-4,4-dimethyl-3-[(Z)-prop-1-enyl]imino-1-pyrimidin-2-ylpent-1-en-1-amine is sourced from PubChem (CID 170033344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).