4-N,8-N-dimethyl-2-N,6-N-bis(prop-2-enyl)pyrimido[5,4-d]pyrimidine-2,4,6,8-tetramine;hydrochloride

C14H21ClN8 — CID 118864845

IUPAC4-N,8-N-dimethyl-2-N,6-N-bis(prop-2-enyl)pyrimido[5,4-d]pyrimidine-2,4,6,8-tetramine;hydrochloride
SMILESC=CCNc1nc(NC)c2nc(NCC=C)nc(NC)c2n1.Cl
InChIInChI=1S/C14H20N8.ClH/c1-5-7-17-13-19-9-10(11(15-3)21-13)20-14(18-8-6-2)22-12(9)16-4;/h5-6H,1-2,7-8H2,3-4H3,(H2,15,17,19,21)(H2,16,18,20,22);1H
InChIKeyPAJLNUBZPWXTAM-UHFFFAOYSA-N
MW336.83 g/mol
LogP2.12
Rot. Bonds8

About 4-N,8-N-dimethyl-2-N,6-N-bis(prop-2-enyl)pyrimido[5,4-d]pyrimidine-2,4,6,8-tetramine;hydrochloride

4-N,8-N-dimethyl-2-N,6-N-bis(prop-2-enyl)pyrimido[5,4-d]pyrimidine-2,4,6,8-tetramine;hydrochloride (PubChem CID 118864845) has the molecular formula C14H21ClN8 and a molecular weight of 336.83 g/mol. Its IUPAC name is 4-N,8-N-dimethyl-2-N,6-N-bis(prop-2-enyl)pyrimido[5,4-d]pyrimidine-2,4,6,8-tetramine;hydrochloride.

Molecular Properties

Compound Name4-N,8-N-dimethyl-2-N,6-N-bis(prop-2-enyl)pyrimido[5,4-d]pyrimidine-2,4,6,8-tetramine;hydrochloride
PubChem CID118864845
Molecular FormulaC14H21ClN8
Molecular Weight336.83 g/mol
Exact Mass336.16
IUPAC Name4-N,8-N-dimethyl-2-N,6-N-bis(prop-2-enyl)pyrimido[5,4-d]pyrimidine-2,4,6,8-tetramine;hydrochloride
SMILESC=CCNc1nc(NC)c2nc(NCC=C)nc(NC)c2n1.Cl
InChIInChI=1S/C14H20N8.ClH/c1-5-7-17-13-19-9-10(11(15-3)21-13)20-14(18-8-6-2)22-12(9)16-4;/h5-6H,1-2,7-8H2,3-4H3,(H2,15,17,19,21)(H2,16,18,20,22);1H
InChIKeyPAJLNUBZPWXTAM-UHFFFAOYSA-N
XLogP2.12
TPSA99.68 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.83
LogP ≤ 52.12
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-N,8-N-dimethyl-2-N,6-N-bis(prop-2-enyl)pyrimido[5,4-d]pyrimidine-2,4,6,8-tetramine;hydrochloride?
The IUPAC name of 4-N,8-N-dimethyl-2-N,6-N-bis(prop-2-enyl)pyrimido[5,4-d]pyrimidine-2,4,6,8-tetramine;hydrochloride (CID 118864845) is 4-N,8-N-dimethyl-2-N,6-N-bis(prop-2-enyl)pyrimido[5,4-d]pyrimidine-2,4,6,8-tetramine;hydrochloride.
What is the SMILES notation for 4-N,8-N-dimethyl-2-N,6-N-bis(prop-2-enyl)pyrimido[5,4-d]pyrimidine-2,4,6,8-tetramine;hydrochloride?
The canonical SMILES for 4-N,8-N-dimethyl-2-N,6-N-bis(prop-2-enyl)pyrimido[5,4-d]pyrimidine-2,4,6,8-tetramine;hydrochloride is C=CCNc1nc(NC)c2nc(NCC=C)nc(NC)c2n1.Cl.
What is the InChIKey of 4-N,8-N-dimethyl-2-N,6-N-bis(prop-2-enyl)pyrimido[5,4-d]pyrimidine-2,4,6,8-tetramine;hydrochloride?
The InChIKey is PAJLNUBZPWXTAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N8.ClH/c1-5-7-17-13-19-9-10(11(15-3)21-13)20-14(18-8-6-2)22-12(9)16-4;/h5-6H,1-2,7-8H2,3-4H3,(H2,15,17,19,21)(H2,16,18,20,22);1H.
What are the key properties of 4-N,8-N-dimethyl-2-N,6-N-bis(prop-2-enyl)pyrimido[5,4-d]pyrimidine-2,4,6,8-tetramine;hydrochloride?
4-N,8-N-dimethyl-2-N,6-N-bis(prop-2-enyl)pyrimido[5,4-d]pyrimidine-2,4,6,8-tetramine;hydrochloride has a molecular weight of 336.83 g/mol, XLogP of 2.12, 8 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N,8-N-dimethyl-2-N,6-N-bis(prop-2-enyl)pyrimido[5,4-d]pyrimidine-2,4,6,8-tetramine;hydrochloride is sourced from PubChem (CID 118864845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).