pyrimido[4,5-d]pyrimidin-2-amine

C6H5N5 — CID 55290968

IUPACpyrimido[4,5-d]pyrimidin-2-amine
SMILESNc1ncc2cncnc2n1
InChIInChI=1S/C6H5N5/c7-6-9-2-4-1-8-3-10-5(4)11-6/h1-3H,(H2,7,8,9,10,11)
InChIKeyXMNVBOSLZWOYFC-UHFFFAOYSA-N
MW147.14 g/mol
LogP0.00
Rot. Bonds

About pyrimido[4,5-d]pyrimidin-2-amine

pyrimido[4,5-d]pyrimidin-2-amine (PubChem CID 55290968) has the molecular formula C6H5N5 and a molecular weight of 147.14 g/mol. Its IUPAC name is pyrimido[4,5-d]pyrimidin-2-amine.

Molecular Properties

Compound Namepyrimido[4,5-d]pyrimidin-2-amine
PubChem CID55290968
Molecular FormulaC6H5N5
Molecular Weight147.14 g/mol
Exact Mass147.05
IUPAC Namepyrimido[4,5-d]pyrimidin-2-amine
SMILESNc1ncc2cncnc2n1
InChIInChI=1S/C6H5N5/c7-6-9-2-4-1-8-3-10-5(4)11-6/h1-3H,(H2,7,8,9,10,11)
InChIKeyXMNVBOSLZWOYFC-UHFFFAOYSA-N
XLogP0.00
TPSA77.58 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500147.14
LogP ≤ 50.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2,4,6,8,18,20,22-heptazapentacyclo[12.8.0.03,12.05,10.016,21]docosa-1(22),2,4,6,8,10,12,14,16,18,20-undecaene
CID 102403996
pteridine-6,7-diamine
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pyrido[2,3-d]pyrimidine-2,7-diamine
CID 22134678
pteridine;pteridine-2,4-diamine
CID 67748436
7-pyridin-4-ylpyrido[2,3-d]pyrimidin-2-amine
CID 45073704
6-(2-iodophenyl)pyrido[2,3-d]pyrimidin-7-amine
CID 12904755
methanol;1H-pyrazolo[3,4-d]pyrimidine
CID 158521229
pyrimido[4,5-b]quinolin-2-amine
CID 10987174
pyrido[3,4-g]quinazolin-2-amine
CID 118988440
5-(1-pyrimidin-5-ylethyl)pyrimidine-2,4-diamine
CID 174718912
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CID 4242444
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CID 141099373

Frequently Asked Questions

What is the IUPAC name of pyrimido[4,5-d]pyrimidin-2-amine?
The IUPAC name of pyrimido[4,5-d]pyrimidin-2-amine (CID 55290968) is pyrimido[4,5-d]pyrimidin-2-amine.
What is the SMILES notation for pyrimido[4,5-d]pyrimidin-2-amine?
The canonical SMILES for pyrimido[4,5-d]pyrimidin-2-amine is Nc1ncc2cncnc2n1.
What is the InChIKey of pyrimido[4,5-d]pyrimidin-2-amine?
The InChIKey is XMNVBOSLZWOYFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5N5/c7-6-9-2-4-1-8-3-10-5(4)11-6/h1-3H,(H2,7,8,9,10,11).
What are the key properties of pyrimido[4,5-d]pyrimidin-2-amine?
pyrimido[4,5-d]pyrimidin-2-amine has a molecular weight of 147.14 g/mol, XLogP of 0.00, 0 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for pyrimido[4,5-d]pyrimidin-2-amine is sourced from PubChem (CID 55290968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).