1-[[2,6-bis(methylamino)-4-(propylamino)pyrimido[5,4-d]pyrimidin-8-yl]methylamino]-2-methylpropan-2-ol

C16H28N8O — CID 134520325

IUPAC1-[[2,6-bis(methylamino)-4-(propylamino)pyrimido[5,4-d]pyrimidin-8-yl]methylamino]-2-methylpropan-2-ol
SMILESCCCNc1nc(NC)nc2c(CNCC(C)(C)O)nc(NC)nc12
InChIInChI=1S/C16H28N8O/c1-6-7-20-13-12-11(22-15(18-5)24-13)10(21-14(17-4)23-12)8-19-9-16(2,3)25/h19,25H,6-9H2,1-5H3,(H,17,21,23)(H2,18,20,22,24)
InChIKeyIWAYRTCKLAWDEX-UHFFFAOYSA-N
MW348.46 g/mol
LogP1.19
Rot. Bonds9

About 1-[[2,6-bis(methylamino)-4-(propylamino)pyrimido[5,4-d]pyrimidin-8-yl]methylamino]-2-methylpropan-2-ol

1-[[2,6-bis(methylamino)-4-(propylamino)pyrimido[5,4-d]pyrimidin-8-yl]methylamino]-2-methylpropan-2-ol (PubChem CID 134520325) has the molecular formula C16H28N8O and a molecular weight of 348.46 g/mol. Its IUPAC name is 1-[[2,6-bis(methylamino)-4-(propylamino)pyrimido[5,4-d]pyrimidin-8-yl]methylamino]-2-methylpropan-2-ol.

Molecular Properties

Compound Name1-[[2,6-bis(methylamino)-4-(propylamino)pyrimido[5,4-d]pyrimidin-8-yl]methylamino]-2-methylpropan-2-ol
PubChem CID134520325
Molecular FormulaC16H28N8O
Molecular Weight348.46 g/mol
Exact Mass348.24
IUPAC Name1-[[2,6-bis(methylamino)-4-(propylamino)pyrimido[5,4-d]pyrimidin-8-yl]methylamino]-2-methylpropan-2-ol
SMILESCCCNc1nc(NC)nc2c(CNCC(C)(C)O)nc(NC)nc12
InChIInChI=1S/C16H28N8O/c1-6-7-20-13-12-11(22-15(18-5)24-13)10(21-14(17-4)23-12)8-19-9-16(2,3)25/h19,25H,6-9H2,1-5H3,(H,17,21,23)(H2,18,20,22,24)
InChIKeyIWAYRTCKLAWDEX-UHFFFAOYSA-N
XLogP1.19
TPSA119.91 Ų
H-Bond Donors5
H-Bond Acceptors9
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.46
LogP ≤ 51.19
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 109

Analyze 1-[[2,6-bis(methylamino)-4-(propylamino)pyrimido[5,4-d]pyrimidin-8-yl]methylamino]-2-methylpropan-2-ol with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-[[2,6-bis(methylamino)-4-(propylamino)pyrimido[5,4-d]pyrimidin-8-yl]methylamino]-2-methylpropan-2-ol?
The IUPAC name of 1-[[2,6-bis(methylamino)-4-(propylamino)pyrimido[5,4-d]pyrimidin-8-yl]methylamino]-2-methylpropan-2-ol (CID 134520325) is 1-[[2,6-bis(methylamino)-4-(propylamino)pyrimido[5,4-d]pyrimidin-8-yl]methylamino]-2-methylpropan-2-ol.
What is the SMILES notation for 1-[[2,6-bis(methylamino)-4-(propylamino)pyrimido[5,4-d]pyrimidin-8-yl]methylamino]-2-methylpropan-2-ol?
The canonical SMILES for 1-[[2,6-bis(methylamino)-4-(propylamino)pyrimido[5,4-d]pyrimidin-8-yl]methylamino]-2-methylpropan-2-ol is CCCNc1nc(NC)nc2c(CNCC(C)(C)O)nc(NC)nc12.
What is the InChIKey of 1-[[2,6-bis(methylamino)-4-(propylamino)pyrimido[5,4-d]pyrimidin-8-yl]methylamino]-2-methylpropan-2-ol?
The InChIKey is IWAYRTCKLAWDEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N8O/c1-6-7-20-13-12-11(22-15(18-5)24-13)10(21-14(17-4)23-12)8-19-9-16(2,3)25/h19,25H,6-9H2,1-5H3,(H,17,21,23)(H2,18,20,22,24).
What are the key properties of 1-[[2,6-bis(methylamino)-4-(propylamino)pyrimido[5,4-d]pyrimidin-8-yl]methylamino]-2-methylpropan-2-ol?
1-[[2,6-bis(methylamino)-4-(propylamino)pyrimido[5,4-d]pyrimidin-8-yl]methylamino]-2-methylpropan-2-ol has a molecular weight of 348.46 g/mol, XLogP of 1.19, 9 rotatable bonds, 5 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[2,6-bis(methylamino)-4-(propylamino)pyrimido[5,4-d]pyrimidin-8-yl]methylamino]-2-methylpropan-2-ol is sourced from PubChem (CID 134520325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).